N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-tosyl-propionamide Formula: C21H23N3O6S2 MolecularWeight: 477.55382

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N3O6S2/c1-3-30-12-11-23-18-14-16(24(26)27)6-9-19(18)31-21(23)22-20(25)10-13-32(28,29)17-7-4-15(2)5-8-17/h4-9,14H,3,10-13H2,1-2H3