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

Systemtic Name: ethyl 2-[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-iodo-1-methyl-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-iodo-1-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C16H18IN3O3S MolecularWeight: 459.30189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3I)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3I)C

InChI

InChI=1S/C16H18IN3O3S/c1-3-23-16(22)12-9-6-4-5-7-11(9)24-15(12)18-14(21)13-10(17)8-20(2)19-13/h8H,3-7H2,1-2H3,(H,18,21)