(E)-5-(1,3-benzothiazol-2-yl)-6-(3-nitrophenyl)hex-5-enoic acid

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-nitrophenyl)hex-5-enoic acid Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-nitrophenyl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-nitrophenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-nitrophenyl)hex-5-enoic acid Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-nitrophenyl)hex-5-enoic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=CC=C3)[N+](=O)[O-])CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/CCCC(=O)O

InChI

InChI=1S/C19H16N2O4S/c22-18(23)10-4-6-14(11-13-5-3-7-15(12-13)21(24)25)19-20-16-8-1-2-9-17(16)26-19/h1-3,5,7-9,11-12H,4,6,10H2,(H,22,23)/b14-11+