3-[5-chloranyl-2-(2-dimethylaminoethylamino)phenyl]sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid

Systemtic Name: 3-[5-chloranyl-2-(2-dimethylaminoethylamino)phenyl]sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid Openeye Name: 3-[5-chloro-2-(2-dimethylaminoethylamino)phenyl]sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[[5-chloro-2-(2-dimethylaminoethylamino)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-[5-chloro-2-(2-dimethylaminoethylamino)phenyl]sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[[5-chloro-2-(2-dimethylaminoethylamino)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid Formula: C20H25ClN2O4S MolecularWeight: 424.9415

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=C(C=C(C=C1)Cl)SC(C2=CC=C(C=C2)OC)C(C(=O)O)O

Isomeric SMILES

CN(C)CCNC1=C(C=C(C=C1)Cl)SC(C2=CC=C(C=C2)OC)C(C(=O)O)O

InChI

InChI=1S/C20H25ClN2O4S/c1-23(2)11-10-22-16-9-6-14(21)12-17(16)28-19(18(24)20(25)26)13-4-7-15(27-3)8-5-13/h4-9,12,18-19,22,24H,10-11H2,1-3H3,(H,25,26)