[1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-[4-(dimethylamino)anilino]-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-[4-(dimethylamino)anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C21H26N2O3S/c1-15-5-11-19(12-6-15)27-14-13-20(24)26-16(2)21(25)22-17-7-9-18(10-8-17)23(3)4/h5-12,16H,13-14H2,1-4H3,(H,22,25)