2-methoxy-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 2-methoxy-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 2-methoxy-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 2-methoxy-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 2-methoxy-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-2-methoxy-benzamide Formula: C19H16N2O4S2 MolecularWeight: 400.47134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC#C

Isomeric SMILES

COC1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC#C

InChI

InChI=1S/C19H16N2O4S2/c1-4-11-21-15-10-9-13(27(3,23)24)12-17(15)26-19(21)20-18(22)14-7-5-6-8-16(14)25-2/h1,5-10,12H,11H2,2-3H3