diethyl 3-methyl-5-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H20N4O5S2 MolecularWeight: 412.4838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NNC(=N2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NNC(=N2)C

InChI

InChI=1S/C16H20N4O5S2/c1-5-24-14(22)11-8(3)12(15(23)25-6-2)27-13(11)18-10(21)7-26-16-17-9(4)19-20-16/h5-7H2,1-4H3,(H,18,21)(H,17,19,20)