ethyl 2-methyl-3-[[4-[(4-methylphenyl)sulfanylmethyl]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 2-methyl-3-[[4-[(4-methylphenyl)sulfanylmethyl]phenyl]carbonylamino]benzoate Openeye Name: ethyl 2-methyl-3-[[4-(p-tolylsulfanylmethyl)benzoyl]amino]benzoate CAS Name: 2-methyl-3-[[[4-[[(4-methylphenyl)thio]methyl]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]benzoate Traditional Name: 2-methyl-3-[[4-[(p-tolylthio)methyl]benzoyl]amino]benzoic acid ethyl ester Formula: C25H25NO3S MolecularWeight: 419.5359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO3S/c1-4-29-25(28)22-6-5-7-23(18(22)3)26-24(27)20-12-10-19(11-13-20)16-30-21-14-8-17(2)9-15-21/h5-15H,4,16H2,1-3H3,(H,26,27)