[(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-thiophen-2-ylbutanoate

Systemtic Name: [(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-thiophen-2-ylbutanoate Openeye Name: [(1S)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [(1S)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)CCCC2=CC=CS2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)OC(=O)CCCC2=CC=CS2

InChI

InChI=1S/C19H23NO3S/c1-13-7-4-8-14(2)18(13)20-19(22)15(3)23-17(21)11-5-9-16-10-6-12-24-16/h4,6-8,10,12,15H,5,9,11H2,1-3H3,(H,20,22)/t15-/m0/s1