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

Systemtic Name: methyl 2-[(6-iodanyl-3-methoxy-pyridin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(6-iodo-3-methoxy-2-pyridyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(6-iodo-3-methoxy-2-pyridinyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(6-iodo-3-methoxypyridin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6-iodo-3-methoxy-2-pyridyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C16H17IN2O3S MolecularWeight: 444.28725

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(C=C1)I)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

COC1=C(N=C(C=C1)I)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C16H17IN2O3S/c1-21-10-7-8-12(17)18-14(10)19-15-13(16(20)22-2)9-5-3-4-6-11(9)23-15/h7-8H,3-6H2,1-2H3,(H,18,19)