(1-methyl-2-oxidanylidene-pyrrolidin-3-yl)sulfanyl 8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (1-methyl-2-oxidanylidene-pyrrolidin-3-yl)sulfanyl 8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (1-methyl-2-oxo-pyrrolidin-3-yl)sulfanyl 8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(1-methyl-2-oxo-3-pyrrolidinyl)thio] ester IUPAC Name: (1-methyl-2-oxopyrrolidin-3-yl)sulfanyl 8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(2-keto-1-methyl-pyrrolidin-3-yl)thio] ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1=O)SOC(=O)C2=CCSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CN1CCC(C1=O)SOC(=O)C2=CCSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O5S2/c1-22-9-7-14(17(22)25)30-28-20(27)13-8-10-29-19-16(18(26)23(13)19)21-15(24)11-12-5-3-2-4-6-12/h2-6,8,14,16,19H,7,9-11H2,1H3,(H,21,24)