ethyl 5-azanyl-4-cyano-3-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H21N5O3S3 MolecularWeight: 427.56464

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN=C(S1)SCC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCOCCCNC1=NN=C(S1)SCC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C16H21N5O3S3/c1-3-23-7-5-6-19-15-20-21-16(27-15)25-9-11-10(8-17)13(18)26-12(11)14(22)24-4-2/h3-7,9,18H2,1-2H3,(H,19,20)