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

Systemtic Name: 2-chloranyl-N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide Openeye Name: 2-chloro-N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide CAS Name: 2-chloro-N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-5-nitrobenzamide Traditional Name: 2-chloro-N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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