(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)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-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3-methylbut-2-enoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H21N3O4S/c1-16(2)13-20(29)26-24-22(19(15-33-24)17-9-5-3-6-10-17)25(30)31-14-21-27-28-23(32-21)18-11-7-4-8-12-18/h3-13,15H,14H2,1-2H3,(H,26,29)