1-[4-(1,3-dithiolan-2-yl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[4-(1,3-dithiolan-2-yl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[4-(1,3-dithiolan-2-yl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[4-(1,3-dithiolan-2-yl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[4-(1,3-dithiolan-2-yl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C20H19NO3S2 MolecularWeight: 385.49976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)C3=CC=C(C=C3)C4SCCS4)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)C3=CC=C(C=C3)C4SCCS4)C(=O)O

InChI

InChI=1S/C20H19NO3S2/c22-18(13-6-8-14(9-7-13)20-25-11-12-26-20)21-10-2-4-15-16(19(23)24)3-1-5-17(15)21/h1,3,5-9,20H,2,4,10-12H2,(H,23,24)