diethyl 5-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(3-chloro-4-ethoxy-benzoyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H23ClN2O6S2 MolecularWeight: 499.00012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Cl

InChI

InChI=1S/C21H23ClN2O6S2/c1-5-28-14-9-8-12(10-13(14)22)17(25)23-21(31)24-18-15(19(26)29-6-2)11(4)16(32-18)20(27)30-7-3/h8-10H,5-7H2,1-4H3,(H2,23,24,25,31)