3-ethylsulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 3-ethylsulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 3-ethylsulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 3-ethylsulfonyl-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 3-ethylsulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 3-esyl-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Formula: C19H19N3O5S3 MolecularWeight: 465.56626

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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=C(C=C3)[N+](=O)[O-])CCSC

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S3/c1-3-30(26,27)15-6-4-5-13(11-15)18(23)20-19-21(9-10-28-2)16-8-7-14(22(24)25)12-17(16)29-19/h4-8,11-12H,3,9-10H2,1-2H3