9-[4-(2-phenylpropyl)phenyl]carbonyl-6-propan-2-ylsulfanyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid

Systemtic Name: 9-[4-(2-phenylpropyl)phenyl]carbonyl-6-propan-2-ylsulfanyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Openeye Name: 6-isopropylsulfanyl-9-[4-(2-phenylpropyl)benzoyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid CAS Name: 9-[oxo-[4-(2-phenylpropyl)phenyl]methyl]-6-(propan-2-ylthio)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid IUPAC Name: 9-[4-(2-phenylpropyl)benzoyl]-6-propan-2-ylsulfanyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Traditional Name: 6-(isopropylthio)-9-[4-(2-phenylpropyl)benzoyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Formula: C32H33NO3S MolecularWeight: 511.67432

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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)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)C4=CC=C(C=C4)CC(C)C5=CC=CC=C5

InChI

InChI=1S/C32H33NO3S/c1-20(2)37-26-14-16-30-28(19-26)27-18-25(32(35)36)13-15-29(27)33(30)31(34)24-11-9-22(10-12-24)17-21(3)23-7-5-4-6-8-23/h4-12,14,16,19-21,25H,13,15,17-18H2,1-3H3,(H,35,36)