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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C15H19N5O2S3 MolecularWeight: 397.53866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O2S3/c1-4-22-13(21)11-10(9(5-16)12(17)24-11)7-23-15-20-19-14(25-15)18-6-8(2)3/h8H,4,6-7,17H2,1-3H3,(H,18,19)