N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dimethoxy-benzamide

Systemtic Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dimethoxy-benzamide Openeye Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dimethoxy-benzamide CAS Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dimethoxybenzamide IUPAC Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dimethoxybenzamide Traditional Name: N-(5,7-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-2,3-dimethoxy-benzamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=C(C(=CC=C3)OC)OC)S2)CC#C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=C(C(=CC=C3)OC)OC)S2)CC#C)C

InChI

InChI=1S/C21H20N2O3S/c1-6-10-23-16-12-13(2)11-14(3)19(16)27-21(23)22-20(24)15-8-7-9-17(25-4)18(15)26-5/h1,7-9,11-12H,10H2,2-5H3