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

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H18ClNO3S2 MolecularWeight: 407.93412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C19H18ClNO3S2/c1-12(17(22)21-16-4-2-3-15(20)11-16)24-18(23)13-5-7-14(8-6-13)19-25-9-10-26-19/h2-8,11-12,19H,9-10H2,1H3,(H,21,22)