5-chloranyl-N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Openeye Name: 5-chloro-N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide CAS Name: 5-chloro-N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide Traditional Name: 5-chloro-N-[4-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=C2C(=CC=C1)SC(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])N2CCOC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])N2CCOC

InChI

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