diethyl 3-methyl-5-(1-phenylethylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(1-phenylethylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(1-phenylethylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(1-phenylethylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(1-phenylethylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S2/c1-5-25-18(23)15-12(3)16(19(24)26-6-2)28-17(15)22-20(27)21-13(4)14-10-8-7-9-11-14/h7-11,13H,5-6H2,1-4H3,(H2,21,22,27)