3-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]phenyl]-2-pyrrol-1-yl-propanoic acid

Systemtic Name: 3-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]phenyl]-2-pyrrol-1-yl-propanoic acid Openeye Name: 3-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]phenyl]-2-pyrrol-1-yl-propanoic acid CAS Name: 3-[4-[2-(1,3-benzothiazol-2-ylthio)ethoxy]phenyl]-2-(1-pyrrolyl)propanoic acid IUPAC Name: 3-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]phenyl]-2-pyrrol-1-ylpropanoic acid Traditional Name: 3-[4-[2-(1,3-benzothiazol-2-ylthio)ethoxy]phenyl]-2-pyrrol-1-yl-propionic acid Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCOC3=CC=C(C=C3)CC(C(=O)O)N4C=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCOC3=CC=C(C=C3)CC(C(=O)O)N4C=CC=C4

InChI

InChI=1S/C22H20N2O3S2/c25-21(26)19(24-11-3-4-12-24)15-16-7-9-17(10-8-16)27-13-14-28-22-23-18-5-1-2-6-20(18)29-22/h1-12,19H,13-15H2,(H,25,26)