2-[(5,6-dimethoxy-1-benzothiophen-2-yl)methyl]-3-ethoxy-2-methyl-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[(5,6-dimethoxy-1-benzothiophen-2-yl)methyl]-3-ethoxy-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 2-[(5,6-dimethoxybenzothiophen-2-yl)methyl]-3-ethoxy-2-methyl-3-oxo-propanoic acid CAS Name: 2-[(5,6-dimethoxy-1-benzothiophen-2-yl)methyl]-3-ethoxy-2-methyl-3-oxopropanoic acid IUPAC Name: 2-[(5,6-dimethoxy-1-benzothiophen-2-yl)methyl]-3-ethoxy-2-methyl-3-oxopropanoic acid Traditional Name: 2-[(5,6-dimethoxybenzothiophen-2-yl)methyl]-3-ethoxy-3-keto-2-methyl-propionic acid Formula: C17H20O6S MolecularWeight: 352.4021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CC1=CC2=CC(=C(C=C2S1)OC)OC)C(=O)O

Isomeric SMILES

CCOC(=O)C(C)(CC1=CC2=CC(=C(C=C2S1)OC)OC)C(=O)O

InChI

InChI=1S/C17H20O6S/c1-5-23-16(20)17(2,15(18)19)9-11-6-10-7-12(21-3)13(22-4)8-14(10)24-11/h6-8H,5,9H2,1-4H3,(H,18,19)