methyl 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: methyl 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: methyl 3-(acetoxymethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid methyl ester Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CSC2C(C(=O)N2C1C(=O)OC)NC(=O)CC3=CC=CS3

Isomeric SMILES

CC(=O)OCC1=CSC2C(C(=O)N2C1C(=O)OC)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C17H18N2O6S2/c1-9(20)25-7-10-8-27-16-13(15(22)19(16)14(10)17(23)24-2)18-12(21)6-11-4-3-5-26-11/h3-5,8,13-14,16H,6-7H2,1-2H3,(H,18,21)