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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)S2)CC#C

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)S2)CC#C

InChI

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