3-(2-dimethylaminoethylsulfanyl)-3-phenyl-2-benzofuran-1-one hydrochloride

Systemtic Name: 3-(2-dimethylaminoethylsulfanyl)-3-phenyl-2-benzofuran-1-one hydrochloride Openeye Name: 3-(2-dimethylaminoethylsulfanyl)-3-phenyl-isobenzofuran-1-one hydrochloride CAS Name: 3-(2-dimethylaminoethylthio)-3-phenyl-1-isobenzofuranone hydrochloride IUPAC Name: 3-(2-dimethylaminoethylsulfanyl)-3-phenyl-2-benzofuran-1-one hydrochloride Traditional Name: 3-(2-dimethylaminoethylthio)-3-phenyl-phthalide hydrochloride Formula: C18H20ClNO2S MolecularWeight: 349.8749

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3.Cl

Isomeric SMILES

CN(C)CCSC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3.Cl

InChI

InChI=1S/C18H19NO2S.ClH/c1-19(2)12-13-22-18(14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(20)21-18;/h3-11H,12-13H2,1-2H3;1H