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

Systemtic Name: dimethyl 5-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-(2,4-dimethylphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[1-(2,4-dimethylphenyl)ethylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)C

InChI

InChI=1S/C20H24N2O4S2/c1-10-7-8-14(11(2)9-10)13(4)21-20(27)22-17-15(18(23)25-5)12(3)16(28-17)19(24)26-6/h7-9,13H,1-6H3,(H2,21,22,27)