[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S,3R)-1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S,3R)-1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] (2S,3R)-6-oxo-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxylate CAS Name: (2S,3R)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-3-piperidinecarboxylic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] (2S,3R)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: (2S,3R)-6-keto-1-(p-tolyl)-2-(2-thienyl)nipecotic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)C(C)(C)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@@H]([C@@H](CCC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)C(C)(C)C)C4=CC=CS4

InChI

InChI=1S/C29H32N2O4S/c1-19-7-13-22(14-8-19)31-26(33)16-15-23(27(31)24-6-5-17-36-24)28(34)35-18-25(32)30-21-11-9-20(10-12-21)29(2,3)4/h5-14,17,23,27H,15-16,18H2,1-4H3,(H,30,32)/t23-,27+/m1/s1