6-ethoxy-2-[2-(3-nitrophenyl)sulfonylethylsulfanyl]-1,3-benzothiazole

Systemtic Name: 6-ethoxy-2-[2-(3-nitrophenyl)sulfonylethylsulfanyl]-1,3-benzothiazole Openeye Name: 6-ethoxy-2-[2-(3-nitrophenyl)sulfonylethylsulfanyl]-1,3-benzothiazole CAS Name: 6-ethoxy-2-[2-(3-nitrophenyl)sulfonylethylthio]-1,3-benzothiazole IUPAC Name: 6-ethoxy-2-[2-(3-nitrophenyl)sulfonylethylsulfanyl]-1,3-benzothiazole Traditional Name: 6-ethoxy-2-[2-(3-nitrophenyl)sulfonylethylthio]-1,3-benzothiazole Formula: C17H16N2O5S3 MolecularWeight: 424.51434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCCS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCCS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S3/c1-2-24-13-6-7-15-16(11-13)26-17(18-15)25-8-9-27(22,23)14-5-3-4-12(10-14)19(20)21/h3-7,10-11H,2,8-9H2,1H3