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

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(homoveratrylthiocarbamoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H24N2O4S2 MolecularWeight: 408.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C19H24N2O4S2/c1-11-12(2)27-17(16(11)18(22)25-5)21-19(26)20-9-8-13-6-7-14(23-3)15(10-13)24-4/h6-7,10H,8-9H2,1-5H3,(H2,20,21,26)