3-ethoxy-3-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-ethoxy-3-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]propanoic acid Openeye Name: 3-ethoxy-3-[3-[(4-methylbenzothiophen-3-yl)methyl]-2-oxo-benzimidazol-1-yl]propanoic acid CAS Name: 3-ethoxy-3-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-1-benzimidazolyl]propanoic acid IUPAC Name: 3-ethoxy-3-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid Traditional Name: 3-ethoxy-3-[2-keto-3-[(4-methylbenzothiophen-3-yl)methyl]benzimidazol-1-yl]propionic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(=O)O)N1C2=CC=CC=C2N(C1=O)CC3=CSC4=CC=CC(=C43)C

Isomeric SMILES

CCOC(CC(=O)O)N1C2=CC=CC=C2N(C1=O)CC3=CSC4=CC=CC(=C43)C

InChI

InChI=1S/C22H22N2O4S/c1-3-28-19(11-20(25)26)24-17-9-5-4-8-16(17)23(22(24)27)12-15-13-29-18-10-6-7-14(2)21(15)18/h4-10,13,19H,3,11-12H2,1-2H3,(H,25,26)