methyl 2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetyl]amino]acetic acid methyl ester Formula: C12H11N3O5S2 MolecularWeight: 341.36284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O5S2/c1-20-11(17)5-13-10(16)6-21-12-14-8-3-2-7(15(18)19)4-9(8)22-12/h2-4H,5-6H2,1H3,(H,13,16)