methyl 2-[[(2,5-dimethoxyphenyl)sulfonylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(2,5-dimethoxyphenyl)sulfonylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(2,5-dimethoxyphenyl)sulfonylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[(2,5-dimethoxyphenyl)sulfonylhydrazo]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2,5-dimethoxyphenyl)sulfonylamino]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[(2,5-dimethoxyphenyl)sulfonylamino]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H21N3O6S3 MolecularWeight: 459.56014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNS(=O)(=O)C2=C(C=CC(=C2)OC)OC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNS(=O)(=O)C2=C(C=CC(=C2)OC)OC)C(=O)OC

InChI

InChI=1S/C17H21N3O6S3/c1-5-11-9-12(16(21)26-4)15(28-11)18-17(27)19-20-29(22,23)14-8-10(24-2)6-7-13(14)25-3/h6-9,20H,5H2,1-4H3,(H2,18,19,27)