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

Systemtic Name: diethyl 3-methyl-5-(naphthalen-1-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(1-naphthylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(naphthalen-1-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(1-naphthylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H22N2O4S2/c1-4-27-20(25)17-13(3)18(21(26)28-5-2)30-19(17)24-22(29)23-16-12-8-10-14-9-6-7-11-15(14)16/h6-12H,4-5H2,1-3H3,(H2,23,24,29)