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

Systemtic Name: methyl 2-[[2-(methylaminomethyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[[2-(methylaminomethyl)oxazole-4-carbonyl]amino]propanoate CAS Name: 2-[[[2-(methylaminomethyl)-4-oxazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate Traditional Name: 3-(benzylthio)-2-[[2-(methylaminomethyl)oxazole-4-carbonyl]amino]propionic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=NC(=CO1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CNCC1=NC(=CO1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H21N3O4S/c1-18-8-15-19-13(9-24-15)16(21)20-14(17(22)23-2)11-25-10-12-6-4-3-5-7-12/h3-7,9,14,18H,8,10-11H2,1-2H3,(H,20,21)