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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-morpholin-4-ylphenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-morpholinophenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(4-morpholinyl)phenyl]-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-morpholin-4-ylphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-morpholinophenyl)pent-4-enoic acid Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C=C(CCC(=O)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)/C=C(\CCC(=O)O)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O3S/c25-21(26)10-7-17(22-23-19-3-1-2-4-20(19)28-22)15-16-5-8-18(9-6-16)24-11-13-27-14-12-24/h1-6,8-9,15H,7,10-14H2,(H,25,26)/b17-15+