(2R,3S)-1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: (2R,3S)-1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: (2R,3S)-6-oxo-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxylate CAS Name: (2R,3S)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-3-piperidinecarboxylate IUPAC Name: (2R,3S)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: (2R,3S)-6-keto-1-(p-tolyl)-2-(2-thienyl)nipecotate Formula: C17H16NO3S- MolecularWeight: 314.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)[O-])C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@H]([C@H](CCC2=O)C(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H17NO3S/c1-11-4-6-12(7-5-11)18-15(19)9-8-13(17(20)21)16(18)14-3-2-10-22-14/h2-7,10,13,16H,8-9H2,1H3,(H,20,21)/p-1/t13-,16+/m0/s1