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

Systemtic Name: methyl 2-[[2-(4-aminophenyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[[2-(4-aminophenyl)oxazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(4-aminophenyl)-4-oxazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-aminophenyl)-1,3-oxazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(4-aminophenyl)oxazole-4-carbonyl]amino]-3-(benzylthio)propionic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=COC(=N2)C3=CC=C(C=C3)N

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=COC(=N2)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H21N3O4S/c1-27-21(26)18(13-29-12-14-5-3-2-4-6-14)23-19(25)17-11-28-20(24-17)15-7-9-16(22)10-8-15/h2-11,18H,12-13,22H2,1H3,(H,23,25)