methyl 3-[2-phenyl-4-[(2-sulfanylphenyl)methylamino]phenyl]benzoate

Systemtic Name: methyl 3-[2-phenyl-4-[(2-sulfanylphenyl)methylamino]phenyl]benzoate Openeye Name: methyl 3-[2-phenyl-4-[(2-sulfanylphenyl)methylamino]phenyl]benzoate CAS Name: 3-[4-[(2-mercaptophenyl)methylamino]-2-phenylphenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-phenyl-4-[(2-sulfanylphenyl)methylamino]phenyl]benzoate Traditional Name: 3-[4-[(2-mercaptobenzyl)amino]-2-phenyl-phenyl]benzoic acid methyl ester Formula: C27H23NO2S MolecularWeight: 425.54202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=C(C=C(C=C2)NCC3=CC=CC=C3S)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=C(C=C(C=C2)NCC3=CC=CC=C3S)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO2S/c1-30-27(29)21-12-7-11-20(16-21)24-15-14-23(17-25(24)19-8-3-2-4-9-19)28-18-22-10-5-6-13-26(22)31/h2-17,28,31H,18H2,1H3