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

Systemtic Name: ethyl 2-[[2-(2-azanylethyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 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)CCN

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-2-24-18(23)15(12-26-11-13-6-4-3-5-7-13)21-17(22)14-10-25-16(20-14)8-9-19/h3-7,10,15H,2,8-9,11-12,19H2,1H3,(H,21,22)