ethyl 5-azanyl-4-cyano-3-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-pyrrolidinosulfonylbenzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6S2/c1-2-28-20(25)17-16(15(11-21)18(22)30-17)12-29-19(24)13-5-7-14(8-6-13)31(26,27)23-9-3-4-10-23/h5-8H,2-4,9-10,12,22H2,1H3