3-(acetyloxymethyl)-7-[(2-methylsulfonyl-2-thiophen-3-yl-ethanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-[(2-methylsulfonyl-2-thiophen-3-yl-ethanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-[[2-methylsulfonyl-2-(3-thienyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[2-methylsulfonyl-1-oxo-2-(3-thiophenyl)ethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[(2-methylsulfonyl-2-thiophen-3-ylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-8-keto-7-[[2-mesyl-2-(3-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18N2O8S3 MolecularWeight: 474.52842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CSC=C3)S(=O)(=O)C)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CSC=C3)S(=O)(=O)C)SC1)C(=O)O

InChI

InChI=1S/C17H18N2O8S3/c1-8(20)27-5-10-7-29-16-11(15(22)19(16)12(10)17(23)24)18-14(21)13(30(2,25)26)9-3-4-28-6-9/h3-4,6,11,13,16H,5,7H2,1-2H3,(H,18,21)(H,23,24)