N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]propanamide CAS Name: 3-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]propanamide Traditional Name: 3-besyl-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]propionamide Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6S2/c1-2-29-12-11-22-17-9-8-15(23(25)26)14-18(17)30-20(22)21-19(24)10-13-31(27,28)16-6-4-3-5-7-16/h3-9,14H,2,10-13H2,1H3