(3,3-dimethyl-2-oxidanylidene-butyl) 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobut-2-enyl)amino]-4-phenyl-3-thiophenecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(3-methylbut-2-enoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC(=O)C(C)(C)C)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC(=O)C(C)(C)C)C

InChI

InChI=1S/C22H25NO4S/c1-14(2)11-18(25)23-20-19(21(26)27-12-17(24)22(3,4)5)16(13-28-20)15-9-7-6-8-10-15/h6-11,13H,12H2,1-5H3,(H,23,25)