methyl 5-ethyl-2-[(2-iodanylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(2-iodanylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(2-iodophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(2-iodoanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(2-iodophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(2-iodophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C15H15IN2O2S2 MolecularWeight: 446.32627

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2I)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2I)C(=O)OC

InChI

InChI=1S/C15H15IN2O2S2/c1-3-9-8-10(14(19)20-2)13(22-9)18-15(21)17-12-7-5-4-6-11(12)16/h4-8H,3H2,1-2H3,(H2,17,18,21)