methyl 4-chloranyl-3-[[4-[(4-methylphenyl)sulfanylmethyl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[4-[(4-methylphenyl)sulfanylmethyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[4-(p-tolylsulfanylmethyl)benzoyl]amino]benzoate CAS Name: 4-chloro-3-[[[4-[[(4-methylphenyl)thio]methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]benzoate Traditional Name: 4-chloro-3-[[4-[(p-tolylthio)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C23H20ClNO3S MolecularWeight: 425.9278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C23H20ClNO3S/c1-15-3-10-19(11-4-15)29-14-16-5-7-17(8-6-16)22(26)25-21-13-18(23(27)28-2)9-12-20(21)24/h3-13H,14H2,1-2H3,(H,25,26)