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

Systemtic Name: ethyl 2-[(4-iodanyl-2-methyl-pyrazol-3-yl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-iodo-2-methyl-pyrazole-3-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(4-iodo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-iodo-2-methylpyrazole-3-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-iodo-2-methyl-pyrazole-3-carbonyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H21IN4O3S2 MolecularWeight: 532.41881

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=C(C=NN3C)I

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=C(C=NN3C)I

InChI

InChI=1S/C18H21IN4O3S2/c1-4-26-17(25)13-10-6-5-9(2)7-12(10)28-16(13)22-18(27)21-15(24)14-11(19)8-20-23(14)3/h8-9H,4-7H2,1-3H3,(H2,21,22,24,27)