ethyl (3S)-1-[(S)-(2-benzamido-4,5-dimethyl-thiophen-3-yl)-phenyl-methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(S)-(2-benzamido-4,5-dimethyl-thiophen-3-yl)-phenyl-methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(S)-(2-benzamido-4,5-dimethyl-3-thienyl)-phenyl-methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(S)-(2-benzamido-4,5-dimethyl-3-thiophenyl)-phenylmethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(S)-(2-benzamido-4,5-dimethylthiophen-3-yl)-phenylmethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(S)-(2-benzamido-4,5-dimethyl-3-thienyl)-phenyl-methyl]nipecotic acid ethyl ester Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(C2=CC=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)[C@@H](C2=CC=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H32N2O3S/c1-4-33-28(32)23-16-11-17-30(18-23)25(21-12-7-5-8-13-21)24-19(2)20(3)34-27(24)29-26(31)22-14-9-6-10-15-22/h5-10,12-15,23,25H,4,11,16-18H2,1-3H3,(H,29,31)/t23-,25-/m0/s1