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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(3-ethoxy-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(3-ethoxy-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(3-ethoxy-4-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(3-ethoxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(3-ethoxy-4-methoxy-phenyl)methyl]proline Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O)OC

InChI

InChI=1S/C22H24N2O4S/c1-3-28-18-13-14(10-11-17(18)27-2)20(24-12-6-8-16(24)22(25)26)21-23-15-7-4-5-9-19(15)29-21/h4-5,7,9-11,13,16,20H,3,6,8,12H2,1-2H3,(H,25,26)