N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-methylsulfonyl-benzamide

Systemtic Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-methylsulfonyl-benzamide Openeye Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-methylsulfonyl-benzamide CAS Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-methylsulfonylbenzamide IUPAC Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-methylsulfonylbenzamide Traditional Name: 3-mesyl-N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]benzamide Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C18H17N3O6S2/c1-27-9-8-20-15-11-13(21(23)24)6-7-16(15)28-18(20)19-17(22)12-4-3-5-14(10-12)29(2,25)26/h3-7,10-11H,8-9H2,1-2H3