[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C21H23NO3S2 MolecularWeight: 401.54222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C21H23NO3S2/c1-14-6-3-4-7-18(14)22-19(23)15(2)25-20(24)16-8-10-17(11-9-16)21-26-12-5-13-27-21/h3-4,6-11,15,21H,5,12-13H2,1-2H3,(H,22,23)