diethyl 3-methyl-5-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[sulfanylidene-[(3,3,5-trimethylcyclohexyl)amino]methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(3,3,5-trimethylcyclohexyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H32N2O4S2 MolecularWeight: 440.61978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2CC(CC(C2)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2CC(CC(C2)(C)C)C

InChI

InChI=1S/C21H32N2O4S2/c1-7-26-18(24)15-13(4)16(19(25)27-8-2)29-17(15)23-20(28)22-14-9-12(3)10-21(5,6)11-14/h12,14H,7-11H2,1-6H3,(H2,22,23,28)