(3R)-3-[5-(6-chloranyl-3-methanoyl-hexyl)thiophen-2-yl]-3-oxidanyl-propanenitrile

Systemtic Name: (3R)-3-[5-(6-chloranyl-3-methanoyl-hexyl)thiophen-2-yl]-3-oxidanyl-propanenitrile Openeye Name: (3R)-3-[5-(6-chloro-3-formyl-hexyl)-2-thienyl]-3-hydroxy-propanenitrile CAS Name: (3R)-3-[5-(6-chloro-3-formylhexyl)-2-thiophenyl]-3-hydroxypropanenitrile IUPAC Name: (3R)-3-[5-(6-chloro-3-formylhexyl)thiophen-2-yl]-3-hydroxypropanenitrile Traditional Name: (3R)-3-[5-(6-chloro-3-formyl-hexyl)-2-thienyl]-3-hydroxy-propionitrile Formula: C14H18ClNO2S MolecularWeight: 299.81622

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)C(CC#N)O)CCC(CCCCl)C=O

Isomeric SMILES

C1=C(SC(=C1)[C@@H](CC#N)O)CCC(CCCCl)C=O

InChI

InChI=1S/C14H18ClNO2S/c15-8-1-2-11(10-17)3-4-12-5-6-14(19-12)13(18)7-9-16/h5-6,10-11,13,18H,1-4,7-8H2/t11?,13-/m1/s1