butyl 4-[3-(2,2-dicyano-1-phenylazanyl-ethenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: butyl 4-[3-(2,2-dicyano-1-phenylazanyl-ethenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: butyl 4-[3-(1-anilino-2,2-dicyano-vinyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(1-anilino-2,2-dicyanoethenyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(1-anilino-2,2-dicyanoethenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(1-anilino-2,2-dicyano-vinyl)thio]-2,5-diketo-pyrrolidino]benzoic acid butyl ester Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=C(C#N)C#N)NC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=C(C#N)C#N)NC3=CC=CC=C3

InChI

InChI=1S/C25H22N4O4S/c1-2-3-13-33-25(32)17-9-11-20(12-10-17)29-22(30)14-21(24(29)31)34-23(18(15-26)16-27)28-19-7-5-4-6-8-19/h4-12,21,28H,2-3,13-14H2,1H3