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

Systemtic Name: diethyl 5-azanyl-3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H22N4O5S2 MolecularWeight: 462.54248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN=CN2C3=CC=CC=C3OC)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN=CN2C3=CC=CC=C3OC)C(=O)OCC)N

InChI

InChI=1S/C20H22N4O5S2/c1-4-28-18(25)15-12(16(31-17(15)21)19(26)29-5-2)10-30-20-23-22-11-24(20)13-8-6-7-9-14(13)27-3/h6-9,11H,4-5,10,21H2,1-3H3