[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2,3-dimethoxybenzoate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2,3-dimethoxybenzoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2,3-dimethoxybenzoate CAS Name: 2,3-dimethoxybenzoic acid [(3R)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2,3-dimethoxybenzoate Traditional Name: 2,3-dimethoxybenzoic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=C(C(=CC=C2)OC)OC

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)C2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C17H16N2O5S/c1-10-9-25-16(19-10)12(7-18)13(20)8-24-17(21)11-5-4-6-14(22-2)15(11)23-3/h4-6,9,12H,8H2,1-3H3/t12-/m1/s1