ethyl 4-cyano-3-methyl-5-[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(4-morpholinosulfonylbenzoyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(4-morpholinosulfonylbenzoyl)amino]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)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6S2/c1-3-29-20(25)17-13(2)16(12-21)19(30-17)22-18(24)14-4-6-15(7-5-14)31(26,27)23-8-10-28-11-9-23/h4-7H,3,8-11H2,1-2H3,(H,22,24)