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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: (5-methylisoxazol-3-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-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-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-methylisoxazol-3-yl)methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-13(2)9-18(24)22-20-19(17(12-28-20)15-7-5-4-6-8-15)21(25)26-11-16-10-14(3)27-23-16/h4-10,12H,11H2,1-3H3,(H,22,24)