(5-ethanoyl-2-methoxy-phenyl)methyl 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 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 (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-(3-methylbut-2-enoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC)C

InChI

InChI=1S/C26H25NO5S/c1-16(2)12-23(29)27-25-24(21(15-33-25)18-8-6-5-7-9-18)26(30)32-14-20-13-19(17(3)28)10-11-22(20)31-4/h5-13,15H,14H2,1-4H3,(H,27,29)