[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 4-[3-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 4-[3-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 4-[3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridinyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 4-[3-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]-2,5-diketo-pyrrolidino]benzoic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C29H22ClN5O5S MolecularWeight: 588.03348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=C1C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Cl)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=NC(=C1C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Cl)N)C#N

InChI

InChI=1S/C29H22ClN5O5S/c1-15(2)25-20(12-31)26(33)34-27(21(25)13-32)41-23-11-24(37)35(28(23)38)19-9-5-17(6-10-19)29(39)40-14-22(36)16-3-7-18(30)8-4-16/h3-10,15,23H,11,14H2,1-2H3,(H2,33,34)