[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H24ClNO3S/c1-3-15-6-5-7-16(4-2)21(15)23-19(24)14-26-20(25)12-13-27-18-10-8-17(22)9-11-18/h5-11H,3-4,12-14H2,1-2H3,(H,23,24)