methyl 2-[(6-iodanylpyridin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(6-iodanylpyridin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(6-iodo-2-pyridyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(6-iodo-2-pyridinyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(6-iodopyridin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6-iodo-2-pyridyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C15H15IN2O2S MolecularWeight: 414.26127

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC3=NC(=CC=C3)I

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC3=NC(=CC=C3)I

InChI

InChI=1S/C15H15IN2O2S/c1-20-15(19)13-9-5-2-3-6-10(9)21-14(13)18-12-8-4-7-11(16)17-12/h4,7-8H,2-3,5-6H2,1H3,(H,17,18)