3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7S/c1-27-8-7-22-14-6-5-13(23(25)26)11-17(14)31-20(22)21-19(24)12-9-15(28-2)18(30-4)16(10-12)29-3/h5-6,9-11H,7-8H2,1-4H3