[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(6-methyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(6-methyl-1-benzofuran-3-yl)ethanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(6-methylbenzofuran-3-yl)acetate CAS Name: 2-(6-methyl-3-benzofuranyl)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-(6-methyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methylbenzofuran-3-yl)acetic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)C(C#N)C3=NC(=CS3)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)[C@H](C#N)C3=NC(=CS3)C

InChI

InChI=1S/C19H16N2O4S/c1-11-3-4-14-13(8-24-17(14)5-11)6-18(23)25-9-16(22)15(7-20)19-21-12(2)10-26-19/h3-5,8,10,15H,6,9H2,1-2H3/t15-/m0/s1