ethyl 5-azanyl-4-cyano-3-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-methyl-3-morpholinosulfonyl-benzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-methyl-3-morpholinosulfonyl-benzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H23N3O7S2 MolecularWeight: 493.55322

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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)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H23N3O7S2/c1-3-30-21(26)18-16(15(11-22)19(23)32-18)12-31-20(25)14-5-4-13(2)17(10-14)33(27,28)24-6-8-29-9-7-24/h4-5,10H,3,6-9,12,23H2,1-2H3