(2-butoxy-2-oxidanylidene-ethyl) 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: (2-butoxy-2-oxo-ethyl) 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 (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 2-(3-methylbut-2-enoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylic acid (2-butoxy-2-keto-ethyl) ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C=C(C)C

Isomeric SMILES

CCCCOC(=O)COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C=C(C)C

InChI

InChI=1S/C22H25NO5S/c1-4-5-11-27-19(25)13-28-22(26)20-17(16-9-7-6-8-10-16)14-29-21(20)23-18(24)12-15(2)3/h6-10,12,14H,4-5,11,13H2,1-3H3,(H,23,24)