2-[4-(3-oxidanylidene-4-thiophen-2-yl-1H-isoindol-2-yl)phenyl]propanoic acid

Systemtic Name: 2-[4-(3-oxidanylidene-4-thiophen-2-yl-1H-isoindol-2-yl)phenyl]propanoic acid Openeye Name: 2-[4-[1-oxo-7-(2-thienyl)isoindolin-2-yl]phenyl]propanoic acid CAS Name: 2-[4-(3-oxo-4-thiophen-2-yl-1H-isoindol-2-yl)phenyl]propanoic acid IUPAC Name: 2-[4-(3-oxo-4-thiophen-2-yl-1H-isoindol-2-yl)phenyl]propanoic acid Traditional Name: 2-[4-[1-keto-7-(2-thienyl)isoindolin-2-yl]phenyl]propionic acid Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CC3=CC=CC(=C3C2=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CC3=CC=CC(=C3C2=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C21H17NO3S/c1-13(21(24)25)14-7-9-16(10-8-14)22-12-15-4-2-5-17(19(15)20(22)23)18-6-3-11-26-18/h2-11,13H,12H2,1H3,(H,24,25)