N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-ethanoylsulfonyl-ethanamide

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-ethanoylsulfonyl-ethanamide Openeye Name: 2-acetylsulfonyl-N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-acetylsulfonyl-N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-acetylsulfonyl-N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-acetylsulfonyl-N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C14H11BrN2O4S2 MolecularWeight: 415.28214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)S(=O)(=O)CC(=O)N=C1N(C2=C(S1)C=C(C=C2)Br)CC#C

Isomeric SMILES

CC(=O)S(=O)(=O)CC(=O)N=C1N(C2=C(S1)C=C(C=C2)Br)CC#C

InChI

InChI=1S/C14H11BrN2O4S2/c1-3-6-17-11-5-4-10(15)7-12(11)22-14(17)16-13(19)8-23(20,21)9(2)18/h1,4-5,7H,6,8H2,2H3