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

Systemtic Name: methyl 3-[4-[[3-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]phenyl]methylamino]-2-phenyl-phenyl]benzoate Openeye Name: methyl 3-[4-[(3-tert-butoxycarbonylsulfanylphenyl)methylamino]-2-phenyl-phenyl]benzoate CAS Name: 3-[4-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]thio]phenyl]methylamino]-2-phenylphenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[[3-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]phenyl]methylamino]-2-phenylphenyl]benzoate Traditional Name: 3-[4-[[3-(tert-butoxycarbonylthio)benzyl]amino]-2-phenyl-phenyl]benzoic acid methyl ester Formula: C32H31NO4S MolecularWeight: 525.65784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)SC1=CC=CC(=C1)CNC2=CC(=C(C=C2)C3=CC(=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)SC1=CC=CC(=C1)CNC2=CC(=C(C=C2)C3=CC(=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C32H31NO4S/c1-32(2,3)37-31(35)38-27-15-8-10-22(18-27)21-33-26-16-17-28(29(20-26)23-11-6-5-7-12-23)24-13-9-14-25(19-24)30(34)36-4/h5-20,33H,21H2,1-4H3