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

Systemtic Name: 2-[4-(1-cyanoethyl)phenyl]sulfanyl-2-(3-methoxyphenyl)ethanoic acid Openeye Name: 2-[4-(1-cyanoethyl)phenyl]sulfanyl-2-(3-methoxyphenyl)acetic acid CAS Name: 2-[[4-(1-cyanoethyl)phenyl]thio]-2-(3-methoxyphenyl)acetic acid IUPAC Name: 2-[4-(1-cyanoethyl)phenyl]sulfanyl-2-(3-methoxyphenyl)acetic acid Traditional Name: 2-[[4-(1-cyanoethyl)phenyl]thio]-2-(3-methoxyphenyl)acetic acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC=C(C=C1)SC(C2=CC(=CC=C2)OC)C(=O)O

Isomeric SMILES

CC(C#N)C1=CC=C(C=C1)SC(C2=CC(=CC=C2)OC)C(=O)O

InChI

InChI=1S/C18H17NO3S/c1-12(11-19)13-6-8-16(9-7-13)23-17(18(20)21)14-4-3-5-15(10-14)22-2/h3-10,12,17H,1-2H3,(H,20,21)