N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-propan-2-yloxy-benzamide

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-propan-2-yloxybenzamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

InChI

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