ethyl 3-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[[diethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-(diethylthiocarbamoylthio)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H24N2O3S3 MolecularWeight: 436.61116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=C(SC(=C1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=C(SC(=C1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C20H24N2O3S3/c1-4-22(5-2)20(26)27-13-17(23)21-15-12-16(14-10-8-7-9-11-14)28-18(15)19(24)25-6-3/h7-12H,4-6,13H2,1-3H3,(H,21,23)