[2-[(5-tert-butyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: [2-[(5-tert-butyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: [2-(5-tert-butyl-2-methoxy-anilino)-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-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-tert-butyl-2-methoxyanilino)-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-(5-tert-butyl-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C29H32N2O5S MolecularWeight: 520.63978

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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=C(C=CC(=C3)C(C)(C)C)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O5S/c1-18(2)14-24(32)31-27-26(21(17-37-27)19-10-8-7-9-11-19)28(34)36-16-25(33)30-22-15-20(29(3,4)5)12-13-23(22)35-6/h7-15,17H,16H2,1-6H3,(H,30,33)(H,31,32)