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

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C15H16N2O3S2 MolecularWeight: 336.42914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3S2/c1-4-6-14(18)16-15-17(9-5-2)12-8-7-11(22(3,19)20)10-13(12)21-15/h2,7-8,10H,4,6,9H2,1,3H3