ethyl 2-[(4-ethoxycarbonylphenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-ethoxycarbonylphenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-ethoxycarbonylphenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethoxycarbonylphenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(4-carbethoxyphenyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OCC

InChI

InChI=1S/C19H22N2O4S2/c1-5-24-17(22)13-7-9-14(10-8-13)20-19(26)21-16-15(18(23)25-6-2)11(3)12(4)27-16/h7-10H,5-6H2,1-4H3,(H2,20,21,26)