[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 3-(ethoxymethyl)-4-methoxy-benzoate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic 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-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)C(C#N)C2=NC(=CS2)C)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)[C@H](C#N)C2=NC(=CS2)C)OC

InChI

InChI=1S/C19H20N2O5S/c1-4-25-9-14-7-13(5-6-17(14)24-3)19(23)26-10-16(22)15(8-20)18-21-12(2)11-27-18/h5-7,11,15H,4,9-10H2,1-3H3/t15-/m0/s1