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

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxy-benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxy-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxy-benzamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=C(C=C3)OC)OC)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=C(C=C3)OC)OC)S2)CC#C

InChI

InChI=1S/C21H19N3O4S/c1-5-10-24-16-8-7-15(22-13(2)25)12-19(16)29-21(24)23-20(26)14-6-9-17(27-3)18(11-14)28-4/h1,6-9,11-12H,10H2,2-4H3,(H,22,25)