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

Systemtic Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3,4-dimethyl-benzamide Openeye Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3,4-dimethyl-benzamide CAS Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3,4-dimethylbenzamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3,4-dimethylbenzamide Traditional Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3,4-dimethyl-benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-4-27-10-9-22-17-8-7-16(23(25)26)12-18(17)28-20(22)21-19(24)15-6-5-13(2)14(3)11-15/h5-8,11-12H,4,9-10H2,1-3H3