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

Systemtic Name: pentyl 4-[3-(2,2-dicyano-1-phenylazanyl-ethenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O4S/c1-2-3-7-14-34-26(33)18-10-12-21(13-11-18)30-23(31)15-22(25(30)32)35-24(19(16-27)17-28)29-20-8-5-4-6-9-20/h4-6,8-13,22,29H,2-3,7,14-15H2,1H3