methyl 3-[6-acetamido-2-(4-methylsulfanylphenyl)carbonyl-1-benzofuran-3-yl]propanoate

Systemtic Name: methyl 3-[6-acetamido-2-(4-methylsulfanylphenyl)carbonyl-1-benzofuran-3-yl]propanoate Openeye Name: methyl 3-[6-acetamido-2-(4-methylsulfanylbenzoyl)benzofuran-3-yl]propanoate CAS Name: 3-[6-acetamido-2-[[4-(methylthio)phenyl]-oxomethyl]-3-benzofuranyl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-acetamido-2-(4-methylsulfanylbenzoyl)-1-benzofuran-3-yl]propanoate Traditional Name: 3-[6-acetamido-2-[4-(methylthio)benzoyl]benzofuran-3-yl]propionic acid methyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)SC)CCC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)SC)CCC(=O)OC

InChI

InChI=1S/C22H21NO5S/c1-13(24)23-15-6-9-17-18(10-11-20(25)27-2)22(28-19(17)12-15)21(26)14-4-7-16(29-3)8-5-14/h4-9,12H,10-11H2,1-3H3,(H,23,24)