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

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-ethoxybenzoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic 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] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OCC(=O)C(C#N)C2=NC(=CS2)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OCC(=O)[C@H](C#N)C2=NC(=CS2)C

InChI

InChI=1S/C17H16N2O4S/c1-3-22-15-7-5-4-6-12(15)17(21)23-9-14(20)13(8-18)16-19-11(2)10-24-16/h4-7,10,13H,3,9H2,1-2H3/t13-/m0/s1