methyl 2-[4-[(2-methylphenyl)carbonylamino]phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[4-[(2-methylphenyl)carbonylamino]phenyl]sulfanylethanoate Openeye Name: methyl 2-[4-[(2-methylbenzoyl)amino]phenyl]sulfanylacetate CAS Name: 2-[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(2-methylbenzoyl)amino]phenyl]sulfanylacetate Traditional Name: 2-[[4-(o-toluoylamino)phenyl]thio]acetic acid methyl ester Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)SCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)SCC(=O)OC

InChI

InChI=1S/C17H17NO3S/c1-12-5-3-4-6-15(12)17(20)18-13-7-9-14(10-8-13)22-11-16(19)21-2/h3-10H,11H2,1-2H3,(H,18,20)