3-cyanopropyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 3-cyanopropyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 3-cyanopropyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid 3-cyanopropyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCCCC#N

InChI

InChI=1S/C20H20N2O3S/c1-15-8-10-16(11-9-15)22-19(23)14-26-18-7-3-2-6-17(18)20(24)25-13-5-4-12-21/h2-3,6-11H,4-5,13-14H2,1H3,(H,22,23)