ethyl 3-[(2-aminocarbonyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-5-azanyl-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[(2-aminocarbonyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-5-azanyl-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(2-carbamoyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[2-carbamoyl-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(2-carbamoyl-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(2-carbamoyl-4-pyrrolidinosulfonyl-phenoxy)methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H22N4O6S2 MolecularWeight: 478.54188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N

InChI

InChI=1S/C20H22N4O6S2/c1-2-29-20(26)17-15(14(10-21)19(23)31-17)11-30-16-6-5-12(9-13(16)18(22)25)32(27,28)24-7-3-4-8-24/h5-6,9H,2-4,7-8,11,23H2,1H3,(H2,22,25)