2-[[6-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[[2-(4-hydroxy-3-nitro-phenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[2-(4-hydroxy-3-nitrophenyl)-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[[2-(4-hydroxy-3-nitrophenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[[2-(4-hydroxy-3-nitro-phenyl)acetyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C19H17N3O6S2 MolecularWeight: 447.48478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6S2/c1-11(23)28-6-7-29-19-21-14-4-3-13(10-17(14)30-19)20-18(25)9-12-2-5-16(24)15(8-12)22(26)27/h2-5,8,10,24H,6-7,9H2,1H3,(H,20,25)