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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=NN3)I

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=NN3)I

InChI

InChI=1S/C16H18IN3O3S/c1-8(2)23-16(22)12-9-5-3-4-6-11(9)24-15(12)19-14(21)13-10(17)7-18-20-13/h7-8H,3-6H2,1-2H3,(H,18,20)(H,19,21)