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

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: [2-(4-acetamidoanilino)-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-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-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-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C26H25N3O5S/c1-16(2)13-22(31)29-25-24(21(15-35-25)18-7-5-4-6-8-18)26(33)34-14-23(32)28-20-11-9-19(10-12-20)27-17(3)30/h4-13,15H,14H2,1-3H3,(H,27,30)(H,28,32)(H,29,31)