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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC)C(=O)OC

InChI

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