ethyl 3-(phenylmethylsulfanyl)-2-[(2-piperidin-3-yl-1,3-thiazol-4-yl)carbonylamino]propanoate

Systemtic Name: ethyl 3-(phenylmethylsulfanyl)-2-[(2-piperidin-3-yl-1,3-thiazol-4-yl)carbonylamino]propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[[2-(3-piperidyl)thiazole-4-carbonyl]amino]propanoate CAS Name: 2-[[oxo-[2-(3-piperidinyl)-4-thiazolyl]methyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(2-piperidin-3-yl-1,3-thiazole-4-carbonyl)amino]propanoate Traditional Name: 3-(benzylthio)-2-[[2-(3-piperidyl)thiazole-4-carbonyl]amino]propionic acid ethyl ester Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C3CCCNC3

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C3CCCNC3

InChI

InChI=1S/C21H27N3O3S2/c1-2-27-21(26)18(13-28-12-15-7-4-3-5-8-15)23-19(25)17-14-29-20(24-17)16-9-6-10-22-11-16/h3-5,7-8,14,16,18,22H,2,6,9-13H2,1H3,(H,23,25)