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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-23-17(22)14(11-25-10-12-5-3-2-4-6-12)20-16(21)13-9-24-15(19-13)7-8-18/h2-6,9,14H,7-8,10-11,18H2,1H3,(H,20,21)