[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-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-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-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-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=C(SC=C2C3=CC=CC=C3)NC(=O)C=C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=C(SC=C2C3=CC=CC=C3)NC(=O)C=C(C)C

InChI

InChI=1S/C26H26N2O4S/c1-16(2)13-21(29)28-25-23(20(15-33-25)19-11-6-5-7-12-19)26(31)32-14-22(30)27-24-17(3)9-8-10-18(24)4/h5-13,15H,14H2,1-4H3,(H,27,30)(H,28,29)