2-[4-(1-cyanoethyl)phenyl]sulfanyl-2-(3-ethoxyphenyl)ethanoic acid

Systemtic Name: 2-[4-(1-cyanoethyl)phenyl]sulfanyl-2-(3-ethoxyphenyl)ethanoic acid Openeye Name: 2-[4-(1-cyanoethyl)phenyl]sulfanyl-2-(3-ethoxyphenyl)acetic acid CAS Name: 2-[[4-(1-cyanoethyl)phenyl]thio]-2-(3-ethoxyphenyl)acetic acid IUPAC Name: 2-[4-(1-cyanoethyl)phenyl]sulfanyl-2-(3-ethoxyphenyl)acetic acid Traditional Name: 2-[[4-(1-cyanoethyl)phenyl]thio]-2-m-phenetyl-acetic acid Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C(=O)O)SC2=CC=C(C=C2)C(C)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C(=O)O)SC2=CC=C(C=C2)C(C)C#N

InChI

InChI=1S/C19H19NO3S/c1-3-23-16-6-4-5-15(11-16)18(19(21)22)24-17-9-7-14(8-10-17)13(2)12-20/h4-11,13,18H,3H2,1-2H3,(H,21,22)