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

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(4-butylphenyl)ethanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(4-butylphenyl)acetate CAS Name: 2-(4-butylphenyl)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-(4-butylphenyl)acetate Traditional Name: 2-(4-butylphenyl)acetic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(=O)OCC(=O)C(C#N)C2=NC(=CS2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(=O)OCC(=O)[C@H](C#N)C2=NC(=CS2)C

InChI

InChI=1S/C20H22N2O3S/c1-3-4-5-15-6-8-16(9-7-15)10-19(24)25-12-18(23)17(11-21)20-22-14(2)13-26-20/h6-9,13,17H,3-5,10,12H2,1-2H3/t17-/m0/s1