[2-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate

Systemtic Name: [2-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [2-[4-(4-methyl-1-piperidyl)anilino]-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [2-[4-(4-methyl-1-piperidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-keto-2-[4-(4-methylpiperidino)anilino]ethyl] ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CCC3=CSC=C3

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CCC3=CSC=C3

InChI

InChI=1S/C21H26N2O3S/c1-16-8-11-23(12-9-16)19-5-3-18(4-6-19)22-20(24)14-26-21(25)7-2-17-10-13-27-15-17/h3-6,10,13,15-16H,2,7-9,11-12,14H2,1H3,(H,22,24)