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

Systemtic Name: diethyl 5-azanyl-3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H20N4O4S3 MolecularWeight: 428.5494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(S2)NC3CC3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(S2)NC3CC3)C(=O)OCC)N

InChI

InChI=1S/C16H20N4O4S3/c1-3-23-13(21)10-9(11(26-12(10)17)14(22)24-4-2)7-25-16-20-19-15(27-16)18-8-5-6-8/h8H,3-7,17H2,1-2H3,(H,18,19)