[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[(2S)-2-ethylpiperidino]-2-keto-ethyl] ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C23H24N2O3S/c1-2-18-10-7-8-14-25(18)22(26)16-28-23(27)19-11-4-6-13-21(19)29-20-12-5-3-9-17(20)15-24/h3-6,9,11-13,18H,2,7-8,10,14,16H2,1H3/t18-/m0/s1