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

Systemtic Name: methyl 2-[5-(dimethylaminomethyl)-4-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-3-yl]ethanoate Openeye Name: methyl 2-[5-(dimethylaminomethyl)-4-hydroxy-2-(phenylsulfanylmethyl)benzofuran-3-yl]acetate CAS Name: 2-[5-(dimethylaminomethyl)-4-hydroxy-2-[(phenylthio)methyl]-3-benzofuranyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(dimethylaminomethyl)-4-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-yl]acetate Traditional Name: 2-[5-(dimethylaminomethyl)-4-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(C2=C(C=C1)OC(=C2CC(=O)OC)CSC3=CC=CC=C3)O

Isomeric SMILES

CN(C)CC1=C(C2=C(C=C1)OC(=C2CC(=O)OC)CSC3=CC=CC=C3)O

InChI

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