3,4-dimethoxy-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 3,4-dimethoxy-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 3,4-dimethoxy-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 3,4-dimethoxy-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3,4-dimethoxy-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 3,4-dimethoxy-N-(5-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=C(C=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC#C)OC

Isomeric SMILES

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

InChI

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