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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 4-propan-2-ylbenzoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic 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] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-11(2)13-4-6-14(7-5-13)18(22)23-9-16(21)15(8-19)17-20-12(3)10-24-17/h4-7,10-11,15H,9H2,1-3H3/t15-/m1/s1