9-(3-iodanylphenyl)carbonyl-6-methylsulfanyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid

Systemtic Name: 9-(3-iodanylphenyl)carbonyl-6-methylsulfanyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Openeye Name: 9-(3-iodobenzoyl)-6-methylsulfanyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid CAS Name: 9-[(3-iodophenyl)-oxomethyl]-6-(methylthio)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid IUPAC Name: 9-(3-iodobenzoyl)-6-methylsulfanyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Traditional Name: 9-(3-iodobenzoyl)-6-(methylthio)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Formula: C21H18INO3S MolecularWeight: 491.34199

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N(C3=C2C(CCC3)C(=O)O)C(=O)C4=CC(=CC=C4)I

Isomeric SMILES

CSC1=CC2=C(C=C1)N(C3=C2C(CCC3)C(=O)O)C(=O)C4=CC(=CC=C4)I

InChI

InChI=1S/C21H18INO3S/c1-27-14-8-9-17-16(11-14)19-15(21(25)26)6-3-7-18(19)23(17)20(24)12-4-2-5-13(22)10-12/h2,4-5,8-11,15H,3,6-7H2,1H3,(H,25,26)