2-[2-[[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(3Z)-3-[5-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]-3H-1,3,4-thiadiazol-2-ylidene]-2-[bis(oxidanyl)methylidene]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octan-7-yl]amino]-2-oxidanylidene-ethylidene]amino]oxymethyl]phenyl]ethanoic acid

Systemtic Name: 2-[2-[[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(3Z)-3-[5-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]-3H-1,3,4-thiadiazol-2-ylidene]-2-[bis(oxidanyl)methylidene]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octan-7-yl]amino]-2-oxidanylidene-ethylidene]amino]oxymethyl]phenyl]ethanoic acid Openeye Name: 2-[2-[[(E)-[1-(2-aminothiazol-4-yl)-2-[[(3Z)-2-(dihydroxymethylene)-3-[5-(3,4-dioxocyclohexa-1,5-dien-1-yl)-3H-1,3,4-thiadiazol-2-ylidene]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]amino]-2-oxo-ethylidene]amino]oxymethyl]phenyl]acetic acid CAS Name: 2-[2-[[(E)-[1-(2-amino-4-thiazolyl)-2-[[(3Z)-2-(dihydroxymethylidene)-3-[5-(3,4-dioxo-1-cyclohexa-1,5-dienyl)-3H-1,3,4-thiadiazol-2-ylidene]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]amino]-2-oxoethylidene]amino]oxymethyl]phenyl]acetic acid IUPAC Name: 2-[2-[[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3Z)-2-(dihydroxymethylidene)-3-[5-(3,4-dioxocyclohexa-1,5-dien-1-yl)-3H-1,3,4-thiadiazol-2-ylidene]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]amino]-2-oxoethylidene]amino]oxymethyl]phenyl]acetic acid Traditional Name: 2-[2-[[(E)-[1-(2-aminothiazol-4-yl)-2-[[(3Z)-2-(dihydroxymethylene)-3-[5-(3,4-diketocyclohexa-1,5-dien-1-yl)-3H-1,3,4-thiadiazol-2-ylidene]-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]octan-7-yl]amino]-2-keto-ethylidene]amino]oxymethyl]phenyl]acetic acid Formula: C30H23N7O9S4 MolecularWeight: 753.80512

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C2NN=C(S2)C3=CC(=O)C(=O)C=C3)C(=C(O)O)N4C(S1)C(C4=O)(C=S)NC(=O)C(=NOCC5=CC=CC=C5CC(=O)O)C6=CSC(=N6)N

Isomeric SMILES

C1/C(=C\2/NN=C(S2)C3=CC(=O)C(=O)C=C3)/C(=C(O)O)N4C(S1)C(C4=O)(C=S)NC(=O)/C(=N/OCC5=CC=CC=C5CC(=O)O)/C6=CSC(=N6)N

InChI

InChI=1S/C30H23N7O9S4/c31-29-32-17(11-49-29)21(36-46-9-15-4-2-1-3-13(15)8-20(40)41)23(42)33-30(12-47)27(45)37-22(26(43)44)16(10-48-28(30)37)25-35-34-24(50-25)14-5-6-18(38)19(39)7-14/h1-7,11-12,28,35,43-44H,8-10H2,(H2,31,32)(H,33,42)(H,40,41)/b25-16+,36-21+