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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C14H17N5O3S3 MolecularWeight: 399.51148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(S2)NCCOC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(S2)NCCOC

InChI

InChI=1S/C14H17N5O3S3/c1-3-22-12(20)10-9(8(6-15)11(16)24-10)7-23-14-19-18-13(25-14)17-4-5-21-2/h3-5,7,16H2,1-2H3,(H,17,18)