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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic 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] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C17H14N2O5S/c1-10-9-25-16(19-10)11(6-18)12(20)7-23-17(21)15-8-22-13-4-2-3-5-14(13)24-15/h2-5,9,11,15H,7-8H2,1H3/t11-,15-/m1/s1