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

Systemtic Name: 7-[2-(2-aminophenyl)ethanoylamino]-3-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(2-aminophenyl)acetyl]amino]-3-[(2-methylthiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(2-aminophenyl)-1-oxoethyl]amino]-3-[[(2-methyl-5-thiazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(2-aminophenyl)acetyl]amino]-3-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(2-aminophenyl)acetyl]amino]-8-keto-3-[[(2-methylthiazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H20N4O4S3 MolecularWeight: 476.5922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4N)SC2)C(=O)O

Isomeric SMILES

CC1=NC=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4N)SC2)C(=O)O

InChI

InChI=1S/C20H20N4O4S3/c1-10-22-7-15(31-10)29-8-12-9-30-19-16(18(26)24(19)17(12)20(27)28)23-14(25)6-11-4-2-3-5-13(11)21/h2-5,7,16,19H,6,8-9,21H2,1H3,(H,23,25)(H,27,28)