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

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C20H21NO3S2 MolecularWeight: 387.51564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C20H21NO3S2/c1-14-3-9-17(10-4-14)21-18(22)13-24-19(23)15-5-7-16(8-6-15)20-25-11-2-12-26-20/h3-10,20H,2,11-13H2,1H3,(H,21,22)