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

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 4-butoxybenzoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C(C#N)C2=NC(=CS2)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)[C@H](C#N)C2=NC(=CS2)C

InChI

InChI=1S/C19H20N2O4S/c1-3-4-9-24-15-7-5-14(6-8-15)19(23)25-11-17(22)16(10-20)18-21-13(2)12-26-18/h5-8,12,16H,3-4,9,11H2,1-2H3/t16-/m0/s1