N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide Formula: C20H17BrN2O4S MolecularWeight: 461.32898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

InChI

InChI=1S/C20H17BrN2O4S/c1-5-8-23-14-7-6-13(21)11-17(14)28-20(23)22-19(24)12-9-15(25-2)18(27-4)16(10-12)26-3/h1,6-7,9-11H,8H2,2-4H3