[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(2-chlorophenyl)thio]propanoic acid [2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-chlorophenyl)thio]propionic acid [2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C22H25ClN2O3S MolecularWeight: 432.9635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)CCSC3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)CCSC3=CC=CC=C3Cl

InChI

InChI=1S/C22H25ClN2O3S/c1-16-14-17(25-11-4-5-12-25)8-9-19(16)24-21(26)15-28-22(27)10-13-29-20-7-3-2-6-18(20)23/h2-3,6-9,14H,4-5,10-13,15H2,1H3,(H,24,26)