N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3,4-dimethoxy-benzamide

Systemtic Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3,4-dimethoxy-benzamide Openeye Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3,4-dimethoxy-benzamide CAS Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3,4-dimethoxybenzamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3,4-dimethoxybenzamide Traditional Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3,4-dimethoxy-benzamide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6S/c1-4-29-10-9-22-15-7-6-14(23(25)26)12-18(15)30-20(22)21-19(24)13-5-8-16(27-2)17(11-13)28-3/h5-8,11-12H,4,9-10H2,1-3H3