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

Systemtic Name: ethyl 2-[[2-(4-aminophenyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-2-28-22(27)19(14-30-13-15-6-4-3-5-7-15)24-20(26)18-12-29-21(25-18)16-8-10-17(23)11-9-16/h3-12,19H,2,13-14,23H2,1H3,(H,24,26)