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

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-[(2-ethoxyphenyl)carbonylamino]ethanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-[(2-ethoxybenzoyl)amino]acetate CAS Name: 2-[[(2-ethoxyphenyl)-oxomethyl]amino]acetic 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-[(2-ethoxybenzoyl)amino]acetate Traditional Name: 2-[(2-ethoxybenzoyl)amino]acetic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-3-26-16-7-5-4-6-13(16)18(25)21-9-17(24)27-10-15(23)14(8-20)19-22-12(2)11-28-19/h4-7,11,14H,3,9-10H2,1-2H3,(H,21,25)/t14-/m0/s1