(E)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)acrylamide Formula: C20H15N3O5S2 MolecularWeight: 441.4802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])S2)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])S2)CC#C

InChI

InChI=1S/C20H15N3O5S2/c1-3-11-22-17-9-8-16(30(2,27)28)13-18(17)29-20(22)21-19(24)10-7-14-5-4-6-15(12-14)23(25)26/h1,4-10,12-13H,11H2,2H3/b10-7+,21-20?