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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(5-isobutylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(2-methylpropylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[5-(isobutylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C15H18N4O2S4 MolecularWeight: 414.58902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O2S4/c1-4-21-13(20)11-10(9(5-16)12(17)24-11)7-23-15-19-18-14(25-15)22-6-8(2)3/h8H,4,6-7,17H2,1-3H3