methyl (3S)-2-cyano-5-oxidanylidene-3-thiophen-2-yl-hexanoate

Systemtic Name: methyl (3S)-2-cyano-5-oxidanylidene-3-thiophen-2-yl-hexanoate Openeye Name: methyl (3S)-2-cyano-5-oxo-3-(2-thienyl)hexanoate CAS Name: (3S)-2-cyano-5-oxo-3-thiophen-2-ylhexanoic acid methyl ester IUPAC Name: methyl (3S)-2-cyano-5-oxo-3-thiophen-2-ylhexanoate Traditional Name: (3S)-2-cyano-5-keto-3-(2-thienyl)hexanoic acid methyl ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=CS1)C(C#N)C(=O)OC

Isomeric SMILES

CC(=O)C[C@H](C1=CC=CS1)C(C#N)C(=O)OC

InChI

InChI=1S/C12H13NO3S/c1-8(14)6-9(11-4-3-5-17-11)10(7-13)12(15)16-2/h3-5,9-10H,6H2,1-2H3/t9-,10?/m0/s1