9-[4-(2-phenylpropyl)phenyl]carbonyl-6-propan-2-ylsulfanyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid

Systemtic Name: 9-[4-(2-phenylpropyl)phenyl]carbonyl-6-propan-2-ylsulfanyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Openeye Name: 6-isopropylsulfanyl-9-[4-(2-phenylpropyl)benzoyl]-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid CAS Name: 9-[oxo-[4-(2-phenylpropyl)phenyl]methyl]-6-(propan-2-ylthio)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid IUPAC Name: 9-[4-(2-phenylpropyl)benzoyl]-6-propan-2-ylsulfanyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Traditional Name: 6-(isopropylthio)-9-[4-(2-phenylpropyl)benzoyl]-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Formula: C33H33NO5S MolecularWeight: 555.68382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC2=C(C=C1)N(C3=C2CC(CC3)(C(=O)O)C(=O)O)C(=O)C4=CC=C(C=C4)CC(C)C5=CC=CC=C5

Isomeric SMILES

CC(C)SC1=CC2=C(C=C1)N(C3=C2CC(CC3)(C(=O)O)C(=O)O)C(=O)C4=CC=C(C=C4)CC(C)C5=CC=CC=C5

InChI

InChI=1S/C33H33NO5S/c1-20(2)40-25-13-14-28-26(18-25)27-19-33(31(36)37,32(38)39)16-15-29(27)34(28)30(35)24-11-9-22(10-12-24)17-21(3)23-7-5-4-6-8-23/h4-14,18,20-21H,15-17,19H2,1-3H3,(H,36,37)(H,38,39)