2-(4-aminocarbonylphenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-propanoic acid

Systemtic Name: 2-(4-aminocarbonylphenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-propanoic acid Openeye Name: 2-(4-carbamoylphenyl)-3-(5,6-dimethoxybenzothiophen-2-yl)-2-methyl-propanoic acid CAS Name: 2-(4-carbamoylphenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methylpropanoic acid IUPAC Name: 2-(4-carbamoylphenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methylpropanoic acid Traditional Name: 2-(4-carbamoylphenyl)-3-(5,6-dimethoxybenzothiophen-2-yl)-2-methyl-propionic acid Formula: C21H21NO5S MolecularWeight: 399.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=CC(=C(C=C2S1)OC)OC)(C3=CC=C(C=C3)C(=O)N)C(=O)O

Isomeric SMILES

CC(CC1=CC2=CC(=C(C=C2S1)OC)OC)(C3=CC=C(C=C3)C(=O)N)C(=O)O

InChI

InChI=1S/C21H21NO5S/c1-21(20(24)25,14-6-4-12(5-7-14)19(22)23)11-15-8-13-9-16(26-2)17(27-3)10-18(13)28-15/h4-10H,11H2,1-3H3,(H2,22,23)(H,24,25)