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

Systemtic Name: 5-chloranyl-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-2-nitro-benzamide Openeye Name: 5-chloro-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-2-nitro-benzamide CAS Name: 5-chloro-N-[3-(2-methoxyethyl)-2-benzo[g][1,3]benzothiazolylidene]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-2-nitrobenzamide Traditional Name: 5-chloro-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-2-nitro-benzamide Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C3=CC=CC=C3C=C2)SC1=NC(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COCCN1C2=C(C3=CC=CC=C3C=C2)SC1=NC(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O4S/c1-29-11-10-24-18-8-6-13-4-2-3-5-15(13)19(18)30-21(24)23-20(26)16-12-14(22)7-9-17(16)25(27)28/h2-9,12H,10-11H2,1H3