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

Systemtic Name: 3-ethylsulfonyl-N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 3-ethylsulfonyl-N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 3-ethylsulfonyl-N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 3-ethylsulfonyl-N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 3-esyl-N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]benzamide Formula: C19H19N3O6S2 MolecularWeight: 449.50066

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CCOC

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CCOC

InChI

InChI=1S/C19H19N3O6S2/c1-3-30(26,27)15-6-4-5-13(11-15)18(23)20-19-21(9-10-28-2)16-12-14(22(24)25)7-8-17(16)29-19/h4-8,11-12H,3,9-10H2,1-2H3