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

Systemtic Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxy-benzamide Openeye Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxy-benzamide CAS Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide IUPAC Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide Traditional Name: N-(4,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxy-benzamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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