[(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-thiophen-2-ylpropanoate

Systemtic Name: [(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-thiophen-2-ylpropanoate Openeye Name: [(1S)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(2-thienyl)propanoate CAS Name: 3-thiophen-2-ylpropanoic acid [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)propionic acid [(1S)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)CCC2=CC=CS2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)OC(=O)CCC2=CC=CS2

InChI

InChI=1S/C18H21NO3S/c1-12-6-4-7-13(2)17(12)19-18(21)14(3)22-16(20)10-9-15-8-5-11-23-15/h4-8,11,14H,9-10H2,1-3H3,(H,19,21)/t14-/m0/s1