(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-N-[(3Z)-3-[5-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]-3H-1,3,4-oxadiazol-2-ylidene]-2-[bis(oxidanyl)methylidene]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-methoxyimino-ethanamide

Systemtic Name: (2E)-2-(2-azanyl-1,3-thiazol-4-yl)-N-[(3Z)-3-[5-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]-3H-1,3,4-oxadiazol-2-ylidene]-2-[bis(oxidanyl)methylidene]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-methoxyimino-ethanamide Openeye Name: (2E)-2-(2-aminothiazol-4-yl)-N-[(3Z)-2-(dihydroxymethylene)-3-[5-(3,4-dioxocyclohexa-1,5-dien-1-yl)-3H-1,3,4-oxadiazol-2-ylidene]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-methoxyimino-acetamide CAS Name: (2E)-2-(2-amino-4-thiazolyl)-N-[(3Z)-2-(dihydroxymethylidene)-3-[5-(3,4-dioxo-1-cyclohexa-1,5-dienyl)-3H-1,3,4-oxadiazol-2-ylidene]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-methoxyiminoacetamide IUPAC Name: (2E)-2-(2-amino-1,3-thiazol-4-yl)-N-[(3Z)-2-(dihydroxymethylidene)-3-[5-(3,4-dioxocyclohexa-1,5-dien-1-yl)-3H-1,3,4-oxadiazol-2-ylidene]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-methoxyiminoacetamide Traditional Name: (2E)-2-(2-aminothiazol-4-yl)-N-[(3Z)-2-(dihydroxymethylene)-3-[5-(3,4-diketocyclohexa-1,5-dien-1-yl)-3H-1,3,4-oxadiazol-2-ylidene]-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-methyloximino-acetamide Formula: C22H17N7O8S3 MolecularWeight: 603.60748

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2(C3N(C2=O)C(=C(O)O)C(=C4NN=C(O4)C5=CC(=O)C(=O)C=C5)CS3)C=S

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2(C3N(C2=O)C(=C(O)O)/C(=C/4\NN=C(O4)C5=CC(=O)C(=O)C=C5)/CS3)C=S

InChI

InChI=1S/C22H17N7O8S3/c1-36-28-13(10-6-40-21(23)24-10)15(32)25-22(7-38)19(35)29-14(18(33)34)9(5-39-20(22)29)17-27-26-16(37-17)8-2-3-11(30)12(31)4-8/h2-4,6-7,20,27,33-34H,5H2,1H3,(H2,23,24)(H,25,32)/b17-9+,28-13+