propyl 2-[(4-iodanyl-2-methyl-pyrazol-3-yl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: propyl 2-[(4-iodanyl-2-methyl-pyrazol-3-yl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: propyl 2-[(4-iodo-2-methyl-pyrazole-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(4-iodo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[(4-iodo-2-methylpyrazole-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-iodo-2-methyl-pyrazole-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester Formula: C18H22IN3O3S MolecularWeight: 487.35505

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C=NN3C)I

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C=NN3C)I

InChI

InChI=1S/C18H22IN3O3S/c1-3-9-25-18(24)14-11-7-5-4-6-8-13(11)26-17(14)21-16(23)15-12(19)10-20-22(15)2/h10H,3-9H2,1-2H3,(H,21,23)