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

Systemtic Name: dimethyl 5-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 5-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(veratrylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC(=C(C=C2)OC)OC)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC(=C(C=C2)OC)OC)C(=O)OC

InChI

InChI=1S/C19H22N2O6S2/c1-10-14(17(22)26-4)16(29-15(10)18(23)27-5)21-19(28)20-9-11-6-7-12(24-2)13(8-11)25-3/h6-8H,9H2,1-5H3,(H2,20,21,28)