ethyl 2-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[diethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(diethylthiocarbamoylthio)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O3S3 MolecularWeight: 450.63774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H26N2O3S3/c1-5-23(6-2)21(27)28-13-16(24)22-19-18(20(25)26-7-3)17(14(4)29-19)15-11-9-8-10-12-15/h8-12H,5-7,13H2,1-4H3,(H,22,24)