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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

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