methyl (6S)-6-(1,3-benzothiazol-2-yl)-6-cyano-5-oxidanylidene-hexanoate

Systemtic Name: methyl (6S)-6-(1,3-benzothiazol-2-yl)-6-cyano-5-oxidanylidene-hexanoate Openeye Name: methyl (6S)-6-(1,3-benzothiazol-2-yl)-6-cyano-5-oxo-hexanoate CAS Name: (6S)-6-(1,3-benzothiazol-2-yl)-6-cyano-5-oxohexanoic acid methyl ester IUPAC Name: methyl (6S)-6-(1,3-benzothiazol-2-yl)-6-cyano-5-oxohexanoate Traditional Name: (6S)-6-(1,3-benzothiazol-2-yl)-6-cyano-5-keto-hexanoic acid methyl ester Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)C(C#N)C1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CCCC(=O)[C@H](C#N)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C15H14N2O3S/c1-20-14(19)8-4-6-12(18)10(9-16)15-17-11-5-2-3-7-13(11)21-15/h2-3,5,7,10H,4,6,8H2,1H3/t10-/m0/s1