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

Systemtic Name: ethyl 2-[[2-(1-azanyl-2-oxidanyl-ethyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 2-[[2-(1-amino-2-hydroxy-ethyl)oxazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(1-amino-2-hydroxyethyl)-4-oxazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-amino-2-hydroxyethyl)-1,3-oxazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(1-amino-2-hydroxy-ethyl)oxazole-4-carbonyl]amino]-3-(benzylthio)propionic acid ethyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-2-25-18(24)15(11-27-10-12-6-4-3-5-7-12)20-16(23)14-9-26-17(21-14)13(19)8-22/h3-7,9,13,15,22H,2,8,10-11,19H2,1H3,(H,20,23)