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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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