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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)C(C(=O)O)(N2C=CC=C2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(C1=CC=CC=C1)C(C(=O)O)(N2C=CC=C2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N2O3S2/c1-2-27-19(16-10-4-3-5-11-16)22(20(25)26,24-14-8-9-15-24)29-21-23-17-12-6-7-13-18(17)28-21/h3-15,19H,2H2,1H3,(H,25,26)