5-[2-(2,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethynylsulfanyloxy]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-(2,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethynylsulfanyloxy]benzene-1,3-dicarboxylic acid Openeye Name: 5-[2-(2,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethynylsulfanyloxy]benzene-1,3-dicarboxylic acid CAS Name: 5-[2-(2,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethynylthio]oxybenzene-1,3-dicarboxylic acid IUPAC Name: 5-[2-(2,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethynylsulfanyloxy]benzene-1,3-dicarboxylic acid Traditional Name: 5-[2-(2,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethynylthio]oxyisophthalic acid Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(N1C#CSOC3=CC(=CC(=C3)C(=O)O)C(=O)O)C=C(C=C2)C

Isomeric SMILES

CC1CCC2=C(N1C#CSOC3=CC(=CC(=C3)C(=O)O)C(=O)O)C=C(C=C2)C

InChI

InChI=1S/C21H19NO5S/c1-13-3-5-15-6-4-14(2)22(19(15)9-13)7-8-28-27-18-11-16(20(23)24)10-17(12-18)21(25)26/h3,5,9-12,14H,4,6H2,1-2H3,(H,23,24)(H,25,26)