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

Systemtic Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-chloro-5-nitro-benzamide CAS Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-chloro-5-nitrobenzamide IUPAC Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-chloro-5-nitrobenzamide Traditional Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-chloro-5-nitro-benzamide Formula: C19H17ClN4O5S MolecularWeight: 448.88008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)S2)CCOC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)S2)CCOC

InChI

InChI=1S/C19H17ClN4O5S/c1-11(25)21-12-3-6-16-17(9-12)30-19(23(16)7-8-29-2)22-18(26)14-10-13(24(27)28)4-5-15(14)20/h3-6,9-10H,7-8H2,1-2H3,(H,21,25)