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

Systemtic Name: methyl 4,5-dimethyl-2-[(4-propoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(4-propoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[4-[oxo(propoxy)methyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(4-propoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(4-propoxycarbonylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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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)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S2/c1-5-10-25-17(22)13-6-8-14(9-7-13)20-19(26)21-16-15(18(23)24-4)11(2)12(3)27-16/h6-9H,5,10H2,1-4H3,(H2,20,21,26)