N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonyl-butanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonyl-butanamide Openeye Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonylbutanamide IUPAC Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonyl-butyramide Formula: C22H25N3O7S2 MolecularWeight: 507.5798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O7S2/c1-3-32-13-12-24-19-15-16(25(27)28)6-11-20(19)33-22(24)23-21(26)5-4-14-34(29,30)18-9-7-17(31-2)8-10-18/h6-11,15H,3-5,12-14H2,1-2H3