4-[ethanoyl(phenyl)amino]-2-methyl-3-(2H-quinolin-1-ylcarbonyl)thiolane-2-carboxylic acid

Systemtic Name: 4-[ethanoyl(phenyl)amino]-2-methyl-3-(2H-quinolin-1-ylcarbonyl)thiolane-2-carboxylic acid Openeye Name: 4-(N-acetylanilino)-2-methyl-3-(2H-quinoline-1-carbonyl)tetrahydrothiophene-2-carboxylic acid CAS Name: 4-(N-acetylanilino)-2-methyl-3-[oxo(2H-quinolin-1-yl)methyl]-2-thiolanecarboxylic acid IUPAC Name: 4-(N-acetylanilino)-2-methyl-3-(2H-quinoline-1-carbonyl)thiolane-2-carboxylic acid Traditional Name: 4-(N-acetylanilino)-2-methyl-3-(2H-quinoline-1-carbonyl)tetrahydrothiophene-2-carboxylic acid Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1CSC(C1C(=O)N2CC=CC3=CC=CC=C32)(C)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N(C1CSC(C1C(=O)N2CC=CC3=CC=CC=C32)(C)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O4S/c1-16(27)26(18-11-4-3-5-12-18)20-15-31-24(2,23(29)30)21(20)22(28)25-14-8-10-17-9-6-7-13-19(17)25/h3-13,20-21H,14-15H2,1-2H3,(H,29,30)