[2-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylmethylsulfanyl)ethanoate

Systemtic Name: [2-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylmethylsulfanyl)ethanoate Openeye Name: [2-[4-(4-methyl-1-piperidyl)anilino]-2-oxo-ethyl] 2-(2-thienylmethylsulfanyl)acetate CAS Name: 2-(thiophen-2-ylmethylthio)acetic acid [2-[4-(4-methyl-1-piperidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate Traditional Name: 2-(2-thenylthio)acetic acid [2-keto-2-[4-(4-methylpiperidino)anilino]ethyl] ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CSCC3=CC=CS3

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CSCC3=CC=CS3

InChI

InChI=1S/C21H26N2O3S2/c1-16-8-10-23(11-9-16)18-6-4-17(5-7-18)22-20(24)13-26-21(25)15-27-14-19-3-2-12-28-19/h2-7,12,16H,8-11,13-15H2,1H3,(H,22,24)