N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxy-ethanamide

Systemtic Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxy-ethanamide Openeye Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxy-acetamide CAS Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide IUPAC Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide Traditional Name: N-(4,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-2-phenoxy-acetamide Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=NC(=O)COC3=CC=CC=C3)N2CC#C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=NC(=O)COC3=CC=CC=C3)N2CC#C)C

InChI

InChI=1S/C20H18N2O2S/c1-4-10-22-19-15(3)11-14(2)12-17(19)25-20(22)21-18(23)13-24-16-8-6-5-7-9-16/h1,5-9,11-12H,10,13H2,2-3H3