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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-morpholin-4-ylsulfonylphenoxy)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-morpholinosulfonylphenoxy)methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(4-morpholinylsulfonyl)phenoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-morpholin-4-ylsulfonylphenoxy)methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-morpholinosulfonylphenoxy)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H21N3O6S2/c1-2-27-19(23)17-16(15(11-20)18(21)29-17)12-28-13-3-5-14(6-4-13)30(24,25)22-7-9-26-10-8-22/h3-6H,2,7-10,12,21H2,1H3