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

Systemtic Name: 5-chloranyl-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Openeye Name: 5-chloro-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide CAS Name: 5-chloro-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide Traditional Name: 5-chloro-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])S2)CCOC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])S2)CCOC

InChI

InChI=1S/C19H18ClN3O5S/c1-3-28-13-5-7-16-17(11-13)29-19(22(16)8-9-27-2)21-18(24)14-10-12(20)4-6-15(14)23(25)26/h4-7,10-11H,3,8-9H2,1-2H3