7-azanyl-3-[(4-methoxycarbonyl-1,3-thiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[(4-methoxycarbonyl-1,3-thiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(4-methoxycarbonylthiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[(4-methoxycarbonyl-5-thiazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(4-methoxycarbonyl-1,3-thiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[[(4-carbomethoxythiazol-5-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H13N3O5S3 MolecularWeight: 387.45442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

COC(=O)C1=C(SC=N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C13H13N3O5S3/c1-21-12(20)7-13(24-4-15-7)23-3-5-2-22-10-6(14)9(17)16(10)8(5)11(18)19/h4,6,10H,2-3,14H2,1H3,(H,18,19)