(E)-4-(1,3-benzothiazol-2-yl)-5-(2-morpholin-4-ylquinolin-3-yl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-morpholin-4-ylquinolin-3-yl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-morpholino-3-quinolyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[2-(4-morpholinyl)-3-quinolinyl]-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-morpholin-4-ylquinolin-3-yl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-morpholino-3-quinolyl)pent-4-enoic acid Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=CC=CC=C3C=C2C=C(CCC(=O)O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COCCN1C2=NC3=CC=CC=C3C=C2/C=C(\CCC(=O)O)/C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N3O3S/c29-23(30)10-9-18(25-27-21-7-3-4-8-22(21)32-25)16-19-15-17-5-1-2-6-20(17)26-24(19)28-11-13-31-14-12-28/h1-8,15-16H,9-14H2,(H,29,30)/b18-16+