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

Systemtic Name: methyl 2-[2-(3,4-diethoxyphenyl)ethylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3,4-diethoxyphenyl)ethylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(3,4-diethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-diethoxyphenyl)ethylcarbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[2-(3,4-diethoxyphenyl)ethylthiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S2/c1-6-16-14(4)30-20(19(16)21(25)26-5)24-22(29)23-12-11-15-9-10-17(27-7-2)18(13-15)28-8-3/h9-10,13H,6-8,11-12H2,1-5H3,(H2,23,24,29)