1-[1,3-benzothiazol-2-yl-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-[4-(methylthio)phenyl]methyl]proline Formula: C20H20N2O2S2 MolecularWeight: 384.515

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O

InChI

InChI=1S/C20H20N2O2S2/c1-25-14-10-8-13(9-11-14)18(22-12-4-6-16(22)20(23)24)19-21-15-5-2-3-7-17(15)26-19/h2-3,5,7-11,16,18H,4,6,12H2,1H3,(H,23,24)