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

Systemtic Name: 3-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[5-(carboxymethyl)-4-methyl-thiazol-2-yl]sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[5-(carboxymethyl)-4-methyl-thiazol-2-yl]thio]-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H19N3O6S3 MolecularWeight: 505.58706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)O)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)O)CC(=O)O

InChI

InChI=1S/C21H19N3O6S3/c1-10-12(8-15(26)27)32-21(22-10)33-13-9-31-19-16(18(28)24(19)17(13)20(29)30)23-14(25)7-11-5-3-2-4-6-11/h2-6,16,19H,7-9H2,1H3,(H,23,25)(H,26,27)(H,29,30)