dimethyl 3-methyl-5-[(4-propoxycarbonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[(4-propoxycarbonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(4-propoxycarbonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-[oxo(propoxy)methyl]anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(4-propoxycarbonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-propoxycarbonylphenyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C20H22N2O6S2/c1-5-10-28-17(23)12-6-8-13(9-7-12)21-20(29)22-16-14(18(24)26-3)11(2)15(30-16)19(25)27-4/h6-9H,5,10H2,1-4H3,(H2,21,22,29)