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

Systemtic Name: diethyl 5-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(3,4-dimethoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(veratrylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC(=C(C=C2)OC)OC

InChI

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