[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(3-methyl-4-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(3-methyl-4-propan-2-yl-phenoxy)ethanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(4-isopropyl-3-methyl-phenoxy)acetate CAS Name: 2-(3-methyl-4-propan-2-ylphenoxy)acetic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-isopropyl-3-methyl-phenoxy)acetic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)C(C#N)C2=NC(=CS2)C)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)[C@H](C#N)C2=NC(=CS2)C)C(C)C

InChI

InChI=1S/C20H22N2O4S/c1-12(2)16-6-5-15(7-13(16)3)25-10-19(24)26-9-18(23)17(8-21)20-22-14(4)11-27-20/h5-7,11-12,17H,9-10H2,1-4H3/t17-/m0/s1