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

Systemtic Name: (E)-N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)acrylamide Formula: C21H16N4O4S MolecularWeight: 420.44114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])S2)CC#C

InChI

InChI=1S/C21H16N4O4S/c1-3-11-24-18-9-8-16(22-14(2)26)13-19(18)30-21(24)23-20(27)10-7-15-5-4-6-17(12-15)25(28)29/h1,4-10,12-13H,11H2,2H3,(H,22,26)/b10-7+,23-21?