[2-oxidanylidene-2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-2-(2-keto-3,4-dihydro-1H-quinolin-6-yl)ethyl] ester Formula: C21H19NO4S2 MolecularWeight: 413.50986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C21H19NO4S2/c23-18(16-5-7-17-15(11-16)6-8-19(24)22-17)12-26-20(25)13-1-3-14(4-2-13)21-27-9-10-28-21/h1-5,7,11,21H,6,8-10,12H2,(H,22,24)