6-iodanyl-4-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

Systemtic Name: 6-iodanyl-4-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Openeye Name: 6-iodo-4-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid CAS Name: 6-iodo-4-[4-(methylthio)phenyl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid IUPAC Name: 6-iodo-4-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Traditional Name: 6-iodo-4-[4-(methylthio)phenyl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Formula: C17H16INO2S MolecularWeight: 425.28391

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2CC(NC3=C2C=C(C=C3)I)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2CC(NC3=C2C=C(C=C3)I)C(=O)O

InChI

InChI=1S/C17H16INO2S/c1-22-12-5-2-10(3-6-12)13-9-16(17(20)21)19-15-7-4-11(18)8-14(13)15/h2-8,13,16,19H,9H2,1H3,(H,20,21)