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

Systemtic Name: methyl 4-[3-(2,2-dicyano-1-phenylazanyl-ethenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O4S/c1-30-22(29)14-7-9-17(10-8-14)26-19(27)11-18(21(26)28)31-20(15(12-23)13-24)25-16-5-3-2-4-6-16/h2-10,18,25H,11H2,1H3