N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-(phenylsulfonyl)butanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]butanamide CAS Name: 4-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-besyl-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]butyramide 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)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S2/c1-2-30-13-12-23-18-15-16(24(26)27)10-11-19(18)31-21(23)22-20(25)9-6-14-32(28,29)17-7-4-3-5-8-17/h3-5,7-8,10-11,15H,2,6,9,12-14H2,1H3