N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide

Systemtic Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide Openeye Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide CAS Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-nitrobenzamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-nitrobenzamide Traditional Name: N-[3-(2-ethoxyethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide Formula: C19H19N3O6S2 MolecularWeight: 449.50066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6S2/c1-3-28-10-9-21-16-8-7-15(30(2,26)27)12-17(16)29-19(21)20-18(23)13-5-4-6-14(11-13)22(24)25/h4-8,11-12H,3,9-10H2,1-2H3