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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(5-morpholinosulfonyl-2-pyridyl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(5-morpholinosulfonyl-2-pyridyl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H20N4O5S3 MolecularWeight: 468.5702

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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)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H20N4O5S3/c1-2-27-18(23)16-14(13(9-19)17(20)29-16)11-28-15-4-3-12(10-21-15)30(24,25)22-5-7-26-8-6-22/h3-4,10H,2,5-8,11,20H2,1H3