methyl 2-[4-(dimethylaminomethyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-3-yl]ethanoate

Systemtic Name: methyl 2-[4-(dimethylaminomethyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-3-yl]ethanoate Openeye Name: methyl 2-[4-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)benzofuran-3-yl]acetate CAS Name: 2-[4-(dimethylaminomethyl)-5-hydroxy-2-[(phenylthio)methyl]-3-benzofuranyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-yl]acetate Traditional Name: 2-[4-(dimethylaminomethyl)-5-hydroxy-2-[(phenylthio)methyl]benzofuran-3-yl]acetic acid methyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC2=C1C(=C(O2)CSC3=CC=CC=C3)CC(=O)OC)O

Isomeric SMILES

CN(C)CC1=C(C=CC2=C1C(=C(O2)CSC3=CC=CC=C3)CC(=O)OC)O

InChI

InChI=1S/C21H23NO4S/c1-22(2)12-16-17(23)9-10-18-21(16)15(11-20(24)25-3)19(26-18)13-27-14-7-5-4-6-8-14/h4-10,23H,11-13H2,1-3H3