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

Systemtic Name: methyl 2-[2-(4-iodanylpyrazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-iodopyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-iodo-1-pyrazolyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-iodopyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-iodopyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C15H16IN3O3S MolecularWeight: 445.27531

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=C(C=N3)I

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=C(C=N3)I

InChI

InChI=1S/C15H16IN3O3S/c1-22-15(21)13-10-4-2-3-5-11(10)23-14(13)18-12(20)8-19-7-9(16)6-17-19/h6-7H,2-5,8H2,1H3,(H,18,20)