[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C20H22N2O3S2/c1-22(2)17-9-7-16(8-10-17)21-18(23)13-25-19(24)14-3-5-15(6-4-14)20-26-11-12-27-20/h3-10,20H,11-13H2,1-2H3,(H,21,23)