ethyl 5-azanyl-4-cyano-3-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(pyrrolidine-1-carbothioylsulfanylmethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[1-pyrrolidinyl(sulfanylidene)methyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(pyrrolidine-1-carbothioylsulfanylmethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(pyrrolidine-1-carbothioylthio)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C14H17N3O2S3 MolecularWeight: 355.49868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC(=S)N2CCCC2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC(=S)N2CCCC2

InChI

InChI=1S/C14H17N3O2S3/c1-2-19-13(18)11-10(9(7-15)12(16)22-11)8-21-14(20)17-5-3-4-6-17/h2-6,8,16H2,1H3