diethyl 5-(cyclooctylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-(cyclooctylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(cyclooctylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(cyclooctylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(cyclooctylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(cyclooctylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H30N2O4S2 MolecularWeight: 426.5932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2CCCCCCC2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2CCCCCCC2

InChI

InChI=1S/C20H30N2O4S2/c1-4-25-18(23)15-13(3)16(19(24)26-5-2)28-17(15)22-20(27)21-14-11-9-7-6-8-10-12-14/h14H,4-12H2,1-3H3,(H2,21,22,27)