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

Systemtic Name: methyl 3-(phenylmethylsulfanyl)-2-[(2-piperidin-4-yl-1,3-thiazol-4-yl)carbonylamino]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S2/c1-26-20(25)17(12-27-11-14-5-3-2-4-6-14)22-18(24)16-13-28-19(23-16)15-7-9-21-10-8-15/h2-6,13,15,17,21H,7-12H2,1H3,(H,22,24)