3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-2-phenyl-propanoic acid; N-methylmethanamide

Systemtic Name: 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-2-phenyl-propanoic acid; N-methylmethanamide Openeye Name: 3-(5,6-dimethoxybenzothiophen-2-yl)-2-methyl-2-phenyl-propanoic acid; N-methylformamide CAS Name: 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-2-phenylpropanoic acid; N-methylformamide IUPAC Name: 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-2-phenylpropanoic acid; N-methylformamide Traditional Name: 3-(5,6-dimethoxybenzothiophen-2-yl)-2-methyl-2-phenyl-propionic acid; N-methylformamide Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=CC(=C(C=C2S1)OC)OC)(C3=CC=CC=C3)C(=O)O.CNC=O

Isomeric SMILES

CC(CC1=CC2=CC(=C(C=C2S1)OC)OC)(C3=CC=CC=C3)C(=O)O.CNC=O

InChI

InChI=1S/C20H20O4S.C2H5NO/c1-20(19(21)22,14-7-5-4-6-8-14)12-15-9-13-10-16(23-2)17(24-3)11-18(13)25-15;1-3-2-4/h4-11H,12H2,1-3H3,(H,21,22);2H,1H3,(H,3,4)