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

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,4-dimethoxy-benzamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,4-dimethoxy-benzamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,4-dimethoxybenzamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,4-dimethoxybenzamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-2,4-dimethoxy-benzamide Formula: C19H15BrN2O3S MolecularWeight: 431.303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C)OC

InChI

InChI=1S/C19H15BrN2O3S/c1-4-9-22-15-8-5-12(20)10-17(15)26-19(22)21-18(23)14-7-6-13(24-2)11-16(14)25-3/h1,5-8,10-11H,9H2,2-3H3