diethyl 5-azanyl-3-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H26N4O5S2 MolecularWeight: 490.59564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(N2CCOC)C3=CC=CC=C3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(N2CCOC)C3=CC=CC=C3)C(=O)OCC)N

InChI

InChI=1S/C22H26N4O5S2/c1-4-30-20(27)16-15(17(33-18(16)23)21(28)31-5-2)13-32-22-25-24-19(26(22)11-12-29-3)14-9-7-6-8-10-14/h6-10H,4-5,11-13,23H2,1-3H3