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

Systemtic Name: ethyl 3-(phenylmethylsulfanyl)-2-[(2-piperidin-4-yl-1,3-thiazol-4-yl)carbonylamino]propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[[2-(4-piperidyl)thiazole-4-carbonyl]amino]propanoate CAS Name: 2-[[oxo-[2-(4-piperidinyl)-4-thiazolyl]methyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]propanoate Traditional Name: 3-(benzylthio)-2-[[2-(4-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)C3CCNCC3

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C3CCNCC3

InChI

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