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

Systemtic Name: 7-[2-(2-azanyl-1,3-thiazol-4-yl)ethanoylamino]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-3-[(4-methylthiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]-3-[[(4-methyl-2-thiazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-8-keto-3-[[(4-methylthiazol-2-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H17N5O4S4 MolecularWeight: 483.60798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O

Isomeric SMILES

CC1=CSC(=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O

InChI

InChI=1S/C17H17N5O4S4/c1-7-3-29-17(19-7)30-5-8-4-27-14-11(13(24)22(14)12(8)15(25)26)21-10(23)2-9-6-28-16(18)20-9/h3,6,11,14H,2,4-5H2,1H3,(H2,18,20)(H,21,23)(H,25,26)