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2-[4-[(3-cyano-4-oxidanylidene-thiolan-3-yl)methyl]phenyl]propanoic acid

2-[4-[(3-cyano-4-oxidanylidene-thiolan-3-yl)methyl]phenyl]propanoic acid

Systemtic Name:2-[4-[(3-cyano-4-oxidanylidene-thiolan-3-yl)methyl]phenyl]propanoic acid
Openeye Name:2-[4-[(3-cyano-4-oxo-tetrahydrothiophen-3-yl)methyl]phenyl]propanoic acid
CAS Name:2-[4-[(3-cyano-4-oxo-3-thiolanyl)methyl]phenyl]propanoic acid
IUPAC Name:2-[4-[(3-cyano-4-oxothiolan-3-yl)methyl]phenyl]propanoic acid
Traditional Name:2-[4-[(3-cyano-4-keto-tetrahydrothiophen-3-yl)methyl]phenyl]propionic acid
Formula: C15H15NO3S
MolecularWeight: 289.3495
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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)CC2(CSCC2=O)C#N)C(=O)O


Isomeric SMILES

CC(C1=CC=C(C=C1)CC2(CSCC2=O)C#N)C(=O)O


InChI

InChI=1S/C15H15NO3S/c1-10(14(18)19)12-4-2-11(3-5-12)6-15(8-16)9-20-7-13(15)17/h2-5,10H,6-7,9H2,1H3,(H,18,19)


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