diethyl 5-[(3,4-diethoxyphenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(3,4-diethoxyphenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(3,4-diethoxyphenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(3,4-diethoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3,4-diethoxyphenyl)methylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3,4-diethoxybenzyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H30N2O6S2 MolecularWeight: 494.6241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)OCC

InChI

InChI=1S/C23H30N2O6S2/c1-6-28-16-11-10-15(12-17(16)29-7-2)13-24-23(32)25-20-18(21(26)30-8-3)14(5)19(33-20)22(27)31-9-4/h10-12H,6-9,13H2,1-5H3,(H2,24,25,32)