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

Systemtic Name: 7-azanyl-3-[(2-methyl-1,3-thiazol-4-yl)carbonylsulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(2-methylthiazole-4-carbonyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[[(2-methyl-4-thiazolyl)-oxomethyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(2-methyl-1,3-thiazole-4-carbonyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[[(2-methylthiazole-4-carbonyl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H13N3O4S3 MolecularWeight: 371.45502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C(=O)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)C(=O)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C13H13N3O4S3/c1-5-15-7(4-21-5)13(20)23-3-6-2-22-11-8(14)10(17)16(11)9(6)12(18)19/h4,8,11H,2-3,14H2,1H3,(H,18,19)