4-[5-(2-azanylethyl)-3-methylsulfanyl-1-benzofuran-2-yl]-2-methoxy-phenol

Systemtic Name: 4-[5-(2-azanylethyl)-3-methylsulfanyl-1-benzofuran-2-yl]-2-methoxy-phenol Openeye Name: 4-[5-(2-aminoethyl)-3-methylsulfanyl-benzofuran-2-yl]-2-methoxy-phenol CAS Name: 4-[5-(2-aminoethyl)-3-(methylthio)-2-benzofuranyl]-2-methoxyphenol IUPAC Name: 4-[5-(2-aminoethyl)-3-methylsulfanyl-1-benzofuran-2-yl]-2-methoxyphenol Traditional Name: 4-[5-(2-aminoethyl)-3-(methylthio)benzofuran-2-yl]-2-methoxy-phenol Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C3=C(O2)C=CC(=C3)CCN)SC)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C3=C(O2)C=CC(=C3)CCN)SC)O

InChI

InChI=1S/C18H19NO3S/c1-21-16-10-12(4-5-14(16)20)17-18(23-2)13-9-11(7-8-19)3-6-15(13)22-17/h3-6,9-10,20H,7-8,19H2,1-2H3