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

Systemtic Name: 9-[4-(2-phenylpropyl)phenyl]carbonyl-6-propan-2-ylsulfanyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Openeye Name: 6-isopropylsulfanyl-9-[4-(2-phenylpropyl)benzoyl]-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid CAS Name: 9-[oxo-[4-(2-phenylpropyl)phenyl]methyl]-6-(propan-2-ylthio)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid IUPAC Name: 9-[4-(2-phenylpropyl)benzoyl]-6-propan-2-ylsulfanyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Traditional Name: 6-(isopropylthio)-9-[4-(2-phenylpropyl)benzoyl]-1,2,3,4-tetrahydrocarbazole-4-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=C2C(CCC3)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=C2C(CCC3)C(=O)O)C(=O)C4=CC=C(C=C4)CC(C)C5=CC=CC=C5

InChI

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