O4-ethyl O2-methyl 5-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 5-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 5-[(3,5-dimethylbenzoyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[(3,5-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 5-[(3,5-dimethylbenzoyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3,5-dimethylbenzoyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=S)NC(=O)C2=CC(=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=S)NC(=O)C2=CC(=CC(=C2)C)C

InChI

InChI=1S/C20H22N2O5S2/c1-6-27-18(24)14-12(4)15(19(25)26-5)29-17(14)22-20(28)21-16(23)13-8-10(2)7-11(3)9-13/h7-9H,6H2,1-5H3,(H2,21,22,23,28)