3-[2-(2-dimethylaminoethylamino)phenyl]sulfanyl-2-(4-methoxyphenyl)propanoic acid

Systemtic Name: 3-[2-(2-dimethylaminoethylamino)phenyl]sulfanyl-2-(4-methoxyphenyl)propanoic acid Openeye Name: 3-[2-(2-dimethylaminoethylamino)phenyl]sulfanyl-2-(4-methoxyphenyl)propanoic acid CAS Name: 3-[[2-(2-dimethylaminoethylamino)phenyl]thio]-2-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-[2-(2-dimethylaminoethylamino)phenyl]sulfanyl-2-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[[2-(2-dimethylaminoethylamino)phenyl]thio]-2-(4-methoxyphenyl)propionic acid Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=CC=CC=C1SCC(C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CN(C)CCNC1=CC=CC=C1SCC(C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C20H26N2O3S/c1-22(2)13-12-21-18-6-4-5-7-19(18)26-14-17(20(23)24)15-8-10-16(25-3)11-9-15/h4-11,17,21H,12-14H2,1-3H3,(H,23,24)