ethyl (3S)-1-[[5-(2-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[5-(2-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[5-(o-tolyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[5-(2-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[5-(2-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[5-(o-tolyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]nipecotic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C(=S)OC(=N2)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CN2C(=S)OC(=N2)C3=CC=CC=C3C

InChI

InChI=1S/C18H23N3O3S/c1-3-23-17(22)14-8-6-10-20(11-14)12-21-18(25)24-16(19-21)15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3/t14-/m0/s1