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

Systemtic Name: 4-tert-butyl-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-tert-butyl-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-tert-butyl-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-tert-butyl-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-tert-butyl-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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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)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-5-29-13-12-24-18-11-10-17(25(27)28)14-19(18)30-21(24)23-20(26)15-6-8-16(9-7-15)22(2,3)4/h6-11,14H,5,12-13H2,1-4H3