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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: (2-morpholino-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-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-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-keto-2-morpholino-ethyl) ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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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)N3CCOCC3)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC(=O)N3CCOCC3)C

InChI

InChI=1S/C22H24N2O5S/c1-15(2)12-18(25)23-21-20(17(14-30-21)16-6-4-3-5-7-16)22(27)29-13-19(26)24-8-10-28-11-9-24/h3-7,12,14H,8-11,13H2,1-2H3,(H,23,25)