(2-oxidanylidene-2-thiophen-2-yl-ethyl) (2R)-2-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) (2R)-2-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-4-phenyl-butanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] (2R)-2-(4-bromo-2-methyl-anilino)-4-oxo-4-phenyl-butanoate CAS Name: (2R)-2-(4-bromo-2-methylanilino)-4-oxo-4-phenylbutanoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) (2R)-2-(4-bromo-2-methylanilino)-4-oxo-4-phenylbutanoate Traditional Name: (2R)-2-(4-bromo-2-methyl-anilino)-4-keto-4-phenyl-butyric acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C23H20BrNO4S MolecularWeight: 486.3782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(CC(=O)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N[C@H](CC(=O)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C23H20BrNO4S/c1-15-12-17(24)9-10-18(15)25-19(13-20(26)16-6-3-2-4-7-16)23(28)29-14-21(27)22-8-5-11-30-22/h2-12,19,25H,13-14H2,1H3/t19-/m1/s1