methyl 3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]propanoylamino]-2-phenyl-phenyl]benzoate

Systemtic Name: methyl 3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]propanoylamino]-2-phenyl-phenyl]benzoate Openeye Name: methyl 3-[4-(3-tert-butoxycarbonylsulfanylpropanoylamino)-2-phenyl-phenyl]benzoate CAS Name: 3-[4-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]thio]-1-oxopropyl]amino]-2-phenylphenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]propanoylamino]-2-phenylphenyl]benzoate Traditional Name: 3-[4-[3-(tert-butoxycarbonylthio)propanoylamino]-2-phenyl-phenyl]benzoic acid methyl ester Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)SCCC(=O)NC1=CC(=C(C=C1)C2=CC(=CC=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)SCCC(=O)NC1=CC(=C(C=C1)C2=CC(=CC=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C28H29NO5S/c1-28(2,3)34-27(32)35-16-15-25(30)29-22-13-14-23(24(18-22)19-9-6-5-7-10-19)20-11-8-12-21(17-20)26(31)33-4/h5-14,17-18H,15-16H2,1-4H3,(H,29,30)