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

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(2,3-dimethylphenoxy)ethanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(2,3-dimethylphenoxy)acetate CAS Name: 2-(2,3-dimethylphenoxy)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-(2,3-dimethylphenoxy)acetate Traditional Name: 2-(2,3-dimethylphenoxy)acetic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-11-5-4-6-16(13(11)3)23-9-17(22)24-8-15(21)14(7-19)18-20-12(2)10-25-18/h4-6,10,14H,8-9H2,1-3H3/t14-/m0/s1