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

Systemtic Name: diethyl 5-[2-(2-methoxyphenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-(2-methoxyphenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-(2-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-(2-methoxyphenyl)ethylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(2-methoxyphenyl)ethylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCC2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCC2=CC=CC=C2OC

InChI

InChI=1S/C21H26N2O5S2/c1-5-27-19(24)16-13(3)17(20(25)28-6-2)30-18(16)23-21(29)22-12-11-14-9-7-8-10-15(14)26-4/h7-10H,5-6,11-12H2,1-4H3,(H2,22,23,29)