(E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-piperidin-1-yl-phenyl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-piperidin-1-yl-phenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[3-nitro-4-(1-piperidyl)phenyl]pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[3-nitro-4-(1-piperidinyl)phenyl]-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-piperidin-1-ylphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-piperidino-phenyl)pent-4-enoic acid Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=C(CCC(=O)O)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)/C=C(\CCC(=O)O)/C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O4S/c27-22(28)11-9-17(23-24-18-6-2-3-7-21(18)31-23)14-16-8-10-19(20(15-16)26(29)30)25-12-4-1-5-13-25/h2-3,6-8,10,14-15H,1,4-5,9,11-13H2,(H,27,28)/b17-14+