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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: (3,5-dimethylisoxazol-4-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 (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3-methylbut-2-enoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=C(SC=C2C3=CC=CC=C3)NC(=O)C=C(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=C(SC=C2C3=CC=CC=C3)NC(=O)C=C(C)C

InChI

InChI=1S/C22H22N2O4S/c1-13(2)10-19(25)23-21-20(18(12-29-21)16-8-6-5-7-9-16)22(26)27-11-17-14(3)24-28-15(17)4/h5-10,12H,11H2,1-4H3,(H,23,25)