2-chloranyl-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide Openeye Name: 2-chloro-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide CAS Name: 2-chloro-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-nitrobenzamide Traditional Name: 2-chloro-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)N2CCOC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)N2CCOC)C

InChI

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