methyl 3-(phenylmethylsulfanyl)-2-[(2-pyrrolidin-2-yl-1,3-oxazol-4-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-(phenylmethylsulfanyl)-2-[(2-pyrrolidin-2-yl-1,3-oxazol-4-yl)carbonylamino]propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(2-pyrrolidin-2-yloxazole-4-carbonyl)amino]propanoate CAS Name: 2-[[oxo-[2-(2-pyrrolidinyl)-4-oxazolyl]methyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate Traditional Name: 3-(benzylthio)-2-[(2-pyrrolidin-2-yloxazole-4-carbonyl)amino]propionic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-25-19(24)16(12-27-11-13-6-3-2-4-7-13)21-17(23)15-10-26-18(22-15)14-8-5-9-20-14/h2-4,6-7,10,14,16,20H,5,8-9,11-12H2,1H3,(H,21,23)