(phenylmethyl) 9-(3-iodanylphenyl)carbonyl-6-methylsulfanyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate

Systemtic Name: (phenylmethyl) 9-(3-iodanylphenyl)carbonyl-6-methylsulfanyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate Openeye Name: benzyl 9-(3-iodobenzoyl)-6-methylsulfanyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate CAS Name: 9-[(3-iodophenyl)-oxomethyl]-6-(methylthio)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 9-(3-iodobenzoyl)-6-methylsulfanyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate Traditional Name: 9-(3-iodobenzoyl)-6-(methylthio)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid benzyl ester Formula: C28H24INO3S MolecularWeight: 581.46453

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N(C3=C2C(CCC3)C(=O)OCC4=CC=CC=C4)C(=O)C5=CC(=CC=C5)I

Isomeric SMILES

CSC1=CC2=C(C=C1)N(C3=C2C(CCC3)C(=O)OCC4=CC=CC=C4)C(=O)C5=CC(=CC=C5)I

InChI

InChI=1S/C28H24INO3S/c1-34-21-13-14-24-23(16-21)26-22(28(32)33-17-18-7-3-2-4-8-18)11-6-12-25(26)30(24)27(31)19-9-5-10-20(29)15-19/h2-5,7-10,13-16,22H,6,11-12,17H2,1H3