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

Systemtic Name: dimethyl 5-[(3,4-diethoxyphenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 5-[(3,4-diethoxyphenyl)methylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3,4-diethoxybenzyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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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)OC)C)C(=O)OC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S2/c1-6-28-14-9-8-13(10-15(14)29-7-2)11-22-21(30)23-18-16(19(24)26-4)12(3)17(31-18)20(25)27-5/h8-10H,6-7,11H2,1-5H3,(H2,22,23,30)