methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-(homoveratrylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C20H26N2O4S2/c1-6-14-12(2)28-18(17(14)19(23)26-5)22-20(27)21-10-9-13-7-8-15(24-3)16(11-13)25-4/h7-8,11H,6,9-10H2,1-5H3,(H2,21,22,27)