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

Systemtic Name: 5-chloranyl-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Openeye Name: 5-chloro-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide CAS Name: 5-chloro-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide Traditional Name: 5-chloro-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])S2)CCOC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])S2)CCOC

InChI

InChI=1S/C18H16ClN3O4S/c1-11-3-5-15-16(9-11)27-18(21(15)7-8-26-2)20-17(23)13-10-12(19)4-6-14(13)22(24)25/h3-6,9-10H,7-8H2,1-2H3