2-[5-(2-cyanoethyl)-2-phenylsulfanyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-(2-cyanoethyl)-2-phenylsulfanyl-phenyl]ethanoic acid Openeye Name: 2-[5-(2-cyanoethyl)-2-phenylsulfanyl-phenyl]acetic acid CAS Name: 2-[5-(2-cyanoethyl)-2-(phenylthio)phenyl]acetic acid IUPAC Name: 2-[5-(2-cyanoethyl)-2-phenylsulfanylphenyl]acetic acid Traditional Name: 2-[5-(2-cyanoethyl)-2-(phenylthio)phenyl]acetic acid Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)CCC#N)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)CCC#N)CC(=O)O

InChI

InChI=1S/C17H15NO2S/c18-10-4-5-13-8-9-16(14(11-13)12-17(19)20)21-15-6-2-1-3-7-15/h1-3,6-9,11H,4-5,12H2,(H,19,20)