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

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 7-[2,6-bis(oxidanylidene)piperidin-1-yl]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 7-(2,6-dioxo-1-piperidyl)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-(2,6-dioxo-1-piperidinyl)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 7-(2,6-dioxopiperidin-1-yl)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-glutarimido-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C21H19ClN2O6S MolecularWeight: 462.90336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)N3C(=O)CCCC3=O)SC1)C(=O)OCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(N2C(C(C2=O)N3C(=O)CCCC3=O)SC1)C(=O)OCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN2O6S/c1-11-10-31-20-18(23-15(26)3-2-4-16(23)27)19(28)24(20)17(11)21(29)30-9-14(25)12-5-7-13(22)8-6-12/h5-8,18,20H,2-4,9-10H2,1H3