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

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,4-dimethyl-benzamide Openeye Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,4-dimethyl-benzamide CAS Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide IUPAC Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide Traditional Name: N-(5,6-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-2,4-dimethyl-benzamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CC#C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CC#C)C

InChI

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