diethyl 5-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(homoveratrylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H28N2O6S2 MolecularWeight: 480.59752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H28N2O6S2/c1-6-29-20(25)17-13(3)18(21(26)30-7-2)32-19(17)24-22(31)23-11-10-14-8-9-15(27-4)16(12-14)28-5/h8-9,12H,6-7,10-11H2,1-5H3,(H2,23,24,31)