2-(4-methoxy-3-methyl-phenyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-(4-methoxy-3-methyl-phenyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-(4-methoxy-3-methyl-phenyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-(4-methoxy-3-methylphenyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-(4-methoxy-3-methylphenyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-(4-methoxy-3-methyl-phenyl)-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C)OC

InChI

InChI=1S/C20H17N3O4S/c1-4-9-22-16-7-6-15(23(25)26)12-18(16)28-20(22)21-19(24)11-14-5-8-17(27-3)13(2)10-14/h1,5-8,10,12H,9,11H2,2-3H3