methyl 3-[2-phenyl-4-(3-sulfanylpropanoylamino)phenyl]benzoate

Systemtic Name: methyl 3-[2-phenyl-4-(3-sulfanylpropanoylamino)phenyl]benzoate Openeye Name: methyl 3-[2-phenyl-4-(3-sulfanylpropanoylamino)phenyl]benzoate CAS Name: 3-[4-[(3-mercapto-1-oxopropyl)amino]-2-phenylphenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-phenyl-4-(3-sulfanylpropanoylamino)phenyl]benzoate Traditional Name: 3-[4-(3-mercaptopropanoylamino)-2-phenyl-phenyl]benzoic acid methyl ester Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=C(C=C(C=C2)NC(=O)CCS)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=C(C=C(C=C2)NC(=O)CCS)C3=CC=CC=C3

InChI

InChI=1S/C23H21NO3S/c1-27-23(26)18-9-5-8-17(14-18)20-11-10-19(24-22(25)12-13-28)15-21(20)16-6-3-2-4-7-16/h2-11,14-15,28H,12-13H2,1H3,(H,24,25)