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

Systemtic Name: ethyl 3-(phenylmethylsulfanyl)-2-[(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)carbonylamino]propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(2-pyrrolidin-2-ylthiazole-4-carbonyl)amino]propanoate CAS Name: 2-[[oxo-[2-(2-pyrrolidinyl)-4-thiazolyl]methyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(2-pyrrolidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanoate Traditional Name: 3-(benzylthio)-2-[(2-pyrrolidin-2-ylthiazole-4-carbonyl)amino]propionic acid ethyl ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C3CCCN3

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C3CCCN3

InChI

InChI=1S/C20H25N3O3S2/c1-2-26-20(25)17(12-27-11-14-7-4-3-5-8-14)22-18(24)16-13-28-19(23-16)15-9-6-10-21-15/h3-5,7-8,13,15,17,21H,2,6,9-12H2,1H3,(H,22,24)