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

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 4-[3-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 4-[3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 4-[3-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-2,5-diketo-pyrrolidino]benzoic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C33H23N5O6S MolecularWeight: 617.63062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=C(C(=C(C(=N4)N)C#N)C5=CC=CC=C5)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=C(C(=C(C(=N4)N)C#N)C5=CC=CC=C5)C#N

InChI

InChI=1S/C33H23N5O6S/c1-43-23-9-5-8-21(14-23)26(39)18-44-33(42)20-10-12-22(13-11-20)38-28(40)15-27(32(38)41)45-31-25(17-35)29(19-6-3-2-4-7-19)24(16-34)30(36)37-31/h2-14,27H,15,18H2,1H3,(H2,36,37)