diethyl 5-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-ethyl-6-methylphenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)C

InChI

InChI=1S/C21H26N2O4S2/c1-6-14-11-9-10-12(4)16(14)22-21(28)23-18-15(19(24)26-7-2)13(5)17(29-18)20(25)27-8-3/h9-11H,6-8H2,1-5H3,(H2,22,23,28)