methyl 4-methylsulfanyl-2-[[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]amino]butyric acid methyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC2=C(C=C1)OC(=N2)CCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC2=C(C=C1)OC(=N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4S/c1-28-23(27)18(13-14-30-2)25-22(26)17-11-12-20-19(15-17)24-21(29-20)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,15,18H,6,9-10,13-14H2,1-2H3,(H,25,26)