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

Systemtic Name: diethyl 5-azanyl-3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H24N4O4S3 MolecularWeight: 444.59186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=C(SC(=C2C(=O)OCC)N)C(=O)OCC

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=C(SC(=C2C(=O)OCC)N)C(=O)OCC

InChI

InChI=1S/C17H24N4O4S3/c1-4-7-8-19-16-20-21-17(28-16)26-9-10-11(14(22)24-5-2)13(18)27-12(10)15(23)25-6-3/h4-9,18H2,1-3H3,(H,19,20)