(E)-1-(1,3-benzothiazol-2-yl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4,5-dimethoxy-2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-en-1-one Formula: C18H14N2O5S MolecularWeight: 370.37916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=CC(=O)C2=NC3=CC=CC=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/C(=O)C2=NC3=CC=CC=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H14N2O5S/c1-24-15-9-11(13(20(22)23)10-16(15)25-2)7-8-14(21)18-19-12-5-3-4-6-17(12)26-18/h3-10H,1-2H3/b8-7+