9-[4-(butanoylamino)phenyl]carbonyl-6-methylsulfanyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid

Systemtic Name: 9-[4-(butanoylamino)phenyl]carbonyl-6-methylsulfanyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Openeye Name: 9-[4-(butanoylamino)benzoyl]-6-methylsulfanyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid CAS Name: 6-(methylthio)-9-[oxo-[4-(1-oxobutylamino)phenyl]methyl]-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid IUPAC Name: 9-[4-(butanoylamino)benzoyl]-6-methylsulfanyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Traditional Name: 9-(4-butyramidobenzoyl)-6-(methylthio)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Formula: C26H26N2O6S MolecularWeight: 494.55944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)(C(=O)O)C(=O)O)C4=C2C=CC(=C4)SC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)(C(=O)O)C(=O)O)C4=C2C=CC(=C4)SC

InChI

InChI=1S/C26H26N2O6S/c1-3-4-22(29)27-16-7-5-15(6-8-16)23(30)28-20-10-9-17(35-2)13-18(20)19-14-26(24(31)32,25(33)34)12-11-21(19)28/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,27,29)(H,31,32)(H,33,34)