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

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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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)OC)S2)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S/c1-6-9-25-16-8-7-15(23-13(2)26)12-19(16)31-22(25)24-21(27)14-10-17(28-3)20(30-5)18(11-14)29-4/h1,7-8,10-12H,9H2,2-5H3,(H,23,26)