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

Systemtic Name: methyl 4-ethyl-2-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[(5-methoxycarbonyl-2-methylanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[(5-methoxycarbonyl-2-methylphenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(5-carbomethoxy-2-methyl-phenyl)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=C(C=CC(=C2)C(=O)OC)C)C

Isomeric SMILES

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

InChI

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