ethyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]-4-methyl-benzoate

Systemtic Name: ethyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]-4-methyl-benzoate CAS Name: 3-[[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]-4-methylbenzoate Traditional Name: 3-[[4-[[(4-chlorophenyl)thio]methyl]benzoyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C24H22ClNO3S MolecularWeight: 439.95438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H22ClNO3S/c1-3-29-24(28)19-7-4-16(2)22(14-19)26-23(27)18-8-5-17(6-9-18)15-30-21-12-10-20(25)11-13-21/h4-14H,3,15H2,1-2H3,(H,26,27)