3-[[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[2-carboxyoxy-7-methanethioyl-8-oxidanylidene-3-[(2Z)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxidanylidene-ethylidene]amino]oxymethyl]benzoic acid

Systemtic Name: 3-[[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[2-carboxyoxy-7-methanethioyl-8-oxidanylidene-3-[(2Z)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxidanylidene-ethylidene]amino]oxymethyl]benzoic acid Openeye Name: 3-[[(E)-[1-(2-aminothiazol-4-yl)-2-[[2-carboxyoxy-3-[(2Z)-2-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxo-ethylidene]amino]oxymethyl]benzoic acid CAS Name: 3-[[(E)-[1-(2-amino-4-thiazolyl)-2-[[2-carboxyoxy-3-[(2Z)-2-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3,4-oxadiazol-5-yl]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxoethylidene]amino]oxymethyl]benzoic acid IUPAC Name: 3-[[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[2-carboxyoxy-3-[(2Z)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxoethylidene]amino]oxymethyl]benzoic acid Traditional Name: 3-[[(E)-[1-(2-aminothiazol-4-yl)-2-[[2-carboxyoxy-3-[(2Z)-2-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-keto-ethylidene]amino]oxymethyl]benzoic acid Formula: C29H21N7O11S3 MolecularWeight: 739.71234

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)(C=S)NC(=O)C(=NOCC3=CC=CC(=C3)C(=O)O)C4=CSC(=N4)N)OC(=O)O)C5=NNC(=C6C=CC(=O)C(=C6)O)O5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)(C=S)NC(=O)/C(=N/OCC3=CC=CC(=C3)C(=O)O)/C4=CSC(=N4)N)OC(=O)O)C5=NN/C(=C/6\C=CC(=O)C(=C6)O)/O5

InChI

InChI=1S/C29H21N7O11S3/c30-27-31-16(10-50-27)19(35-45-8-12-2-1-3-14(6-12)24(40)41)20(39)32-29(11-48)25(42)36-23(47-28(43)44)15(9-49-26(29)36)22-34-33-21(46-22)13-4-5-17(37)18(38)7-13/h1-7,10-11,26,33,38H,8-9H2,(H2,30,31)(H,32,39)(H,40,41)(H,43,44)/b21-13-,35-19+