3,4,5-triethoxy-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 3,4,5-triethoxy-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 3,4,5-triethoxy-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 3,4,5-triethoxy-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 3,4,5-triethoxy-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]benzamide Formula: C24H29N3O7S MolecularWeight: 503.56796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O7S/c1-5-31-12-11-26-18-15-17(27(29)30)9-10-21(18)35-24(26)25-23(28)16-13-19(32-6-2)22(34-8-4)20(14-16)33-7-3/h9-10,13-15H,5-8,11-12H2,1-4H3