[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H19N3O4S/c1-23(2)19(25)13-28-17-6-4-3-5-16(17)20(26)27-12-18(24)22-15-9-7-14(11-21)8-10-15/h3-10H,12-13H2,1-2H3,(H,22,24)