ethyl 5-azanyl-4-cyano-3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H20N4O4S3 MolecularWeight: 452.5708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20N4O4S3/c1-2-26-18(23)16-14(13(9-19)17(20)28-16)11-27-15-6-5-12(10-21-15)29(24,25)22-7-3-4-8-22/h5-6,10H,2-4,7-8,11,20H2,1H3