ethyl (3S)-1-[[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(1-naphthylamino)thiazole-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[2-(1-naphthalenylamino)-4-thiazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(1-naphthylamino)thiazole-4-carbonyl]nipecotic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CSC(=N2)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O3S/c1-2-28-21(27)16-9-6-12-25(13-16)20(26)19-14-29-22(24-19)23-18-11-5-8-15-7-3-4-10-17(15)18/h3-5,7-8,10-11,14,16H,2,6,9,12-13H2,1H3,(H,23,24)/t16-/m0/s1