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

Systemtic Name: phenacyl 4-[3-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 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 phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C32H21N5O5S MolecularWeight: 587.60464

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)SC4=C(C(=C(C(=N4)N)C#N)C5=CC=CC=C5)C#N

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)SC4=C(C(=C(C(=N4)N)C#N)C5=CC=CC=C5)C#N

InChI

InChI=1S/C32H21N5O5S/c33-16-23-28(20-9-5-2-6-10-20)24(17-34)30(36-29(23)35)43-26-15-27(39)37(31(26)40)22-13-11-21(12-14-22)32(41)42-18-25(38)19-7-3-1-4-8-19/h1-14,26H,15,18H2,(H2,35,36)