[(2R)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [(2R)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [(1R)-2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [(1R)-2-(2-isopropyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@@H](C)OC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C21H25NO4S/c1-13(2)16-8-5-7-14(3)20(16)22-21(25)15(4)26-19(24)11-10-17(23)18-9-6-12-27-18/h5-9,12-13,15H,10-11H2,1-4H3,(H,22,25)/t15-/m1/s1