5-[3,4-bis(oxidanyl)phenyl]-2-[(7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl)carbonyloxy]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 5-[3,4-bis(oxidanyl)phenyl]-2-[(7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl)carbonyloxy]-1,3-thiazole-4-carboxylic acid Openeye Name: 5-(3,4-dihydroxyphenyl)-2-(7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl)oxy-thiazole-4-carboxylic acid CAS Name: 5-(3,4-dihydroxyphenyl)-2-[(7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl)-oxomethoxy]-4-thiazolecarboxylic acid IUPAC Name: 5-(3,4-dihydroxyphenyl)-2-(7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl)oxy-1,3-thiazole-4-carboxylic acid Traditional Name: 5-(3,4-dihydroxyphenyl)-2-(8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl)oxy-thiazole-4-carboxylic acid Formula: C18H12N2O7S3 MolecularWeight: 464.49208

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)C=S)C(=O)OC3=NC(=C(S3)C4=CC(=C(C=C4)O)O)C(=O)O

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)C=S)C(=O)OC3=NC(=C(S3)C4=CC(=C(C=C4)O)O)C(=O)O

InChI

InChI=1S/C18H12N2O7S3/c21-10-2-1-7(5-11(10)22)13-12(16(24)25)19-18(30-13)27-17(26)9-3-4-29-15-8(6-28)14(23)20(9)15/h1-3,5-6,8,15,21-22H,4H2,(H,24,25)