dimethyl 5-[1-(4-methoxyphenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[1-(4-methoxyphenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[1-(4-methoxyphenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-(4-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[1-(4-methoxyphenyl)ethylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[1-(4-methoxyphenyl)ethylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)C2=CC=C(C=C2)OC)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)C2=CC=C(C=C2)OC)C(=O)OC

InChI

InChI=1S/C19H22N2O5S2/c1-10-14(17(22)25-4)16(28-15(10)18(23)26-5)21-19(27)20-11(2)12-6-8-13(24-3)9-7-12/h6-9,11H,1-5H3,(H2,20,21,27)