[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H23NO4S/c1-12(2)18(21-19(23)15-8-6-5-7-9-15)20(24)25-11-17(22)16-10-13(3)26-14(16)4/h5-10,12,18H,11H2,1-4H3,(H,21,23)/t18-/m0/s1