2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(5-esyl-1,3-benzoxazol-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C18H14N4O6S3 MolecularWeight: 478.52196

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O6S3/c1-2-31(26,27)11-4-6-14-13(8-11)20-18(28-14)29-9-16(23)21-17-19-12-5-3-10(22(24)25)7-15(12)30-17/h3-8H,2,9H2,1H3,(H,19,21,23)