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

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,6-dimethoxy-benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,6-dimethoxy-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,6-dimethoxybenzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,6-dimethoxybenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-2,6-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=C(C=CC=C3OC)OC)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC=C3OC)OC)S2)CC#C

InChI

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