2-azanyl-2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-4-oxidanylidene-3-quinolin-2-yl-6-sulfanyl-hexanoic acid

Systemtic Name: 2-azanyl-2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-4-oxidanylidene-3-quinolin-2-yl-6-sulfanyl-hexanoic acid Openeye Name: 2-amino-2-(5-bromoindan-1-yl)-4-oxo-3-(2-quinolyl)-6-sulfanyl-hexanoic acid CAS Name: 2-amino-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-6-mercapto-4-oxo-3-(2-quinolinyl)hexanoic acid IUPAC Name: 2-amino-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-oxo-3-quinolin-2-yl-6-sulfanylhexanoic acid Traditional Name: 2-amino-2-(5-bromoindan-1-yl)-4-keto-6-mercapto-3-(2-quinolyl)hexanoic acid Formula: C24H23BrN2O3S MolecularWeight: 499.42002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1C(C(C3=NC4=CC=CC=C4C=C3)C(=O)CCS)(C(=O)O)N)C=CC(=C2)Br

Isomeric SMILES

C1CC2=C(C1C(C(C3=NC4=CC=CC=C4C=C3)C(=O)CCS)(C(=O)O)N)C=CC(=C2)Br

InChI

InChI=1S/C24H23BrN2O3S/c25-16-7-8-17-15(13-16)5-9-18(17)24(26,23(29)30)22(21(28)11-12-31)20-10-6-14-3-1-2-4-19(14)27-20/h1-4,6-8,10,13,18,22,31H,5,9,11-12,26H2,(H,29,30)