methyl 2-[(4-iodanyl-2-methyl-pyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-iodanyl-2-methyl-pyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-iodo-2-methyl-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-iodo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-iodo-2-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-iodo-2-methyl-pyrazole-3-carbonyl)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:

CN1C(=C(C=N1)I)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CN1C(=C(C=N1)I)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C15H16IN3O3S/c1-19-12(9(16)7-17-19)13(20)18-14-11(15(21)22-2)8-5-3-4-6-10(8)23-14/h7H,3-6H2,1-2H3,(H,18,20)