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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)C(=O)OCC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)C(=O)OCC)C

InChI

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