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

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 3-(3-methylphenoxy)propanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-methylphenoxy)propanoic 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] 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-methylphenoxy)propionic 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=CC(=CC=C1)OCCC(=O)OCC(=O)C(C#N)C2=NC(=CS2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-12-4-3-5-14(8-12)23-7-6-17(22)24-10-16(21)15(9-19)18-20-13(2)11-25-18/h3-5,8,11,15H,6-7,10H2,1-2H3/t15-/m0/s1