3-[[6-[(7-chloranylquinolin-2-yl)methoxy]-4-(4-oxidanyl-4-oxidanylidene-butanethioyl)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid

Systemtic Name: 3-[[6-[(7-chloranylquinolin-2-yl)methoxy]-4-(4-oxidanyl-4-oxidanylidene-butanethioyl)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid Openeye Name: 3-[[6-[(7-chloro-2-quinolyl)methoxy]-4-(4-hydroxy-4-oxo-butanethioyl)chroman-3-yl]methyl]benzoic acid CAS Name: 3-[[6-[(7-chloro-2-quinolinyl)methoxy]-4-(4-hydroxy-4-oxo-1-sulfanylidenebutyl)-3,4-dihydro-2H-1-benzopyran-3-yl]methyl]benzoic acid IUPAC Name: 3-[[6-[(7-chloroquinolin-2-yl)methoxy]-4-(4-hydroxy-4-oxobutanethioyl)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid Traditional Name: 3-[[6-[(7-chloro-2-quinolyl)methoxy]-4-(4-hydroxy-4-keto-butanethioyl)chroman-3-yl]methyl]benzoic acid Formula: C31H26ClNO6S MolecularWeight: 576.05924

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C(O1)C=CC(=C2)OCC3=NC4=C(C=CC(=C4)Cl)C=C3)C(=S)CCC(=O)O)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1C(C(C2=C(O1)C=CC(=C2)OCC3=NC4=C(C=CC(=C4)Cl)C=C3)C(=S)CCC(=O)O)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C31H26ClNO6S/c32-22-6-4-19-5-7-23(33-26(19)14-22)17-38-24-8-9-27-25(15-24)30(28(40)10-11-29(34)35)21(16-39-27)13-18-2-1-3-20(12-18)31(36)37/h1-9,12,14-15,21,30H,10-11,13,16-17H2,(H,34,35)(H,36,37)