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

Systemtic Name: ethyl 2-[[2-(methylaminomethyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[[2-(methylaminomethyl)oxazole-4-carbonyl]amino]propanoate CAS Name: 2-[[[2-(methylaminomethyl)-4-oxazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-3-24-18(23)15(12-26-11-13-7-5-4-6-8-13)21-17(22)14-10-25-16(20-14)9-19-2/h4-8,10,15,19H,3,9,11-12H2,1-2H3,(H,21,22)