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

Systemtic Name: 5-chloranyl-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Openeye Name: 5-chloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide CAS Name: 5-chloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide Traditional Name: 5-chloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])N2CCOC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])N2CCOC

InChI

InChI=1S/C19H18ClN3O4S/c1-11-8-16-17(9-12(11)2)28-19(22(16)6-7-27-3)21-18(24)14-10-13(20)4-5-15(14)23(25)26/h4-5,8-10H,6-7H2,1-3H3