2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfonyl-acetamide CAS Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfonyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfonyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]sulfonyl-acetamide Formula: C23H22N4O6S2 MolecularWeight: 514.57398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C23H22N4O6S2/c1-2-11-26-19-10-9-17(27(30)31)13-20(19)34-23(26)24-21(28)14-35(32,33)15-22(29)25-12-5-7-16-6-3-4-8-18(16)25/h2-4,6,8-10,13H,1,5,7,11-12,14-15H2