methyl 2-[[2-(2-methylphenyl)-4-(4-phenyl-1,3-dioxolan-2-yl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-(2-methylphenyl)-4-(4-phenyl-1,3-dioxolan-2-yl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(o-tolyl)-4-(4-phenyl-1,3-dioxolan-2-yl)benzoyl]amino]butanoate CAS Name: 2-[[[2-(2-methylphenyl)-4-(4-phenyl-1,3-dioxolan-2-yl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methylphenyl)-4-(4-phenyl-1,3-dioxolan-2-yl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-(4-phenyl-1,3-dioxolan-2-yl)benzoyl]amino]butyric acid methyl ester Formula: C29H31NO5S MolecularWeight: 505.62514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C3OCC(O3)C4=CC=CC=C4)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C3OCC(O3)C4=CC=CC=C4)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C29H31NO5S/c1-19-9-7-8-12-22(19)24-17-21(29-34-18-26(35-29)20-10-5-4-6-11-20)13-14-23(24)27(31)30-25(15-16-36-3)28(32)33-2/h4-14,17,25-26,29H,15-16,18H2,1-3H3,(H,30,31)