[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 7-[2,6-bis(oxidanylidene)piperidin-1-yl]-3-methyl-3-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 7-[2,6-bis(oxidanylidene)piperidin-1-yl]-3-methyl-3-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 7-(2,6-dioxo-1-piperidyl)-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 7-(2,6-dioxo-1-piperidinyl)-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 7-(2,6-dioxopiperidin-1-yl)-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 7-glutarimido-3-hydroxy-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C21H21ClN2O7S MolecularWeight: 480.91864

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)OCC(=O)C3=CC=C(C=C3)Cl)N4C(=O)CCCC4=O)O

Isomeric SMILES

CC1(CSC2C(C(=O)N2C1C(=O)OCC(=O)C3=CC=C(C=C3)Cl)N4C(=O)CCCC4=O)O

InChI

InChI=1S/C21H21ClN2O7S/c1-21(30)10-32-19-16(23-14(26)3-2-4-15(23)27)18(28)24(19)17(21)20(29)31-9-13(25)11-5-7-12(22)8-6-11/h5-8,16-17,19,30H,2-4,9-10H2,1H3