3,5-dimethoxy-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 3,5-dimethoxy-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 3,5-dimethoxy-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 3,5-dimethoxy-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3,5-dimethoxy-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 3,5-dimethoxy-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C)OC

InChI

InChI=1S/C19H15N3O5S/c1-4-7-21-16-6-5-13(22(24)25)10-17(16)28-19(21)20-18(23)12-8-14(26-2)11-15(9-12)27-3/h1,5-6,8-11H,7H2,2-3H3