5-[[4-[ethanoyl(phenyl)amino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]carbonyl]-3-iodanyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[[4-[ethanoyl(phenyl)amino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]carbonyl]-3-iodanyl-thiophene-2-carboxylic acid Openeye Name: 5-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]-3-iodo-thiophene-2-carboxylic acid CAS Name: 5-[[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-oxomethyl]-3-iodo-2-thiophenecarboxylic acid IUPAC Name: 5-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]-3-iodothiophene-2-carboxylic acid Traditional Name: 5-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]-3-iodo-2-thenoic acid Formula: C24H21IN2O4S MolecularWeight: 560.40401

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC=CC=C2N1C(=O)C3=CC(=C(S3)C(=O)O)I)N(C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1CC(C2=CC=CC=C2N1C(=O)C3=CC(=C(S3)C(=O)O)I)N(C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C24H21IN2O4S/c1-14-12-20(27(15(2)28)16-8-4-3-5-9-16)17-10-6-7-11-19(17)26(14)23(29)21-13-18(25)22(32-21)24(30)31/h3-11,13-14,20H,12H2,1-2H3,(H,30,31)