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

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-pentoxy-benzamide Openeye Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-pentoxy-benzamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-pentoxybenzamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-pentoxybenzamide Traditional Name: 3-amoxy-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

InChI

InChI=1S/C22H21N3O4S/c1-3-5-6-13-29-18-9-7-8-16(14-18)21(26)23-22-24(12-4-2)19-11-10-17(25(27)28)15-20(19)30-22/h2,7-11,14-15H,3,5-6,12-13H2,1H3