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

Systemtic Name: 3-methoxy-3-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]propanoic acid Openeye Name: 3-methoxy-3-[3-[(4-methylbenzothiophen-3-yl)methyl]-2-oxo-benzimidazol-1-yl]propanoic acid CAS Name: 3-methoxy-3-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-1-benzimidazolyl]propanoic acid IUPAC Name: 3-methoxy-3-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid Traditional Name: 3-[2-keto-3-[(4-methylbenzothiophen-3-yl)methyl]benzimidazol-1-yl]-3-methoxy-propionic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC=C2CN3C4=CC=CC=C4N(C3=O)C(CC(=O)O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC=C2CN3C4=CC=CC=C4N(C3=O)C(CC(=O)O)OC

InChI

InChI=1S/C21H20N2O4S/c1-13-6-5-9-17-20(13)14(12-28-17)11-22-15-7-3-4-8-16(15)23(21(22)26)18(27-2)10-19(24)25/h3-9,12,18H,10-11H2,1-2H3,(H,24,25)