ethyl 5-azanyl-4-cyano-3-[[3-[(phenylmethyl)sulfamoyl]phenyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[3-[(phenylmethyl)sulfamoyl]phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[3-(benzylsulfamoyl)benzoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[oxo-[3-[(phenylmethyl)sulfamoyl]phenyl]methoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[3-(benzylsulfamoyl)benzoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[3-(benzylsulfamoyl)benzoyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C23H21N3O6S2 MolecularWeight: 499.55934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O6S2/c1-2-31-23(28)20-19(18(12-24)21(25)33-20)14-32-22(27)16-9-6-10-17(11-16)34(29,30)26-13-15-7-4-3-5-8-15/h3-11,26H,2,13-14,25H2,1H3