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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(CCCC(=O)O)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\CCCC(=O)O)/C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

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