ethyl (6S)-6-cyano-6-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-oxidanylidene-hexanoate

Systemtic Name: ethyl (6S)-6-cyano-6-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-oxidanylidene-hexanoate Openeye Name: ethyl (6S)-6-cyano-6-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-5-oxo-hexanoate CAS Name: (6S)-6-cyano-6-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-5-oxohexanoic acid ethyl ester IUPAC Name: ethyl (6S)-6-cyano-6-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-oxohexanoate Traditional Name: (6S)-6-cyano-6-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-5-keto-hexanoic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC(=O)C(C#N)C1=NC(=CS1)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)CCCC(=O)[C@H](C#N)C1=NC(=CS1)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H22N2O5S/c1-4-27-19(24)7-5-6-16(23)14(11-21)20-22-15(12-28-20)13-8-9-17(25-2)18(10-13)26-3/h8-10,12,14H,4-7H2,1-3H3/t14-/m0/s1