methyl 2-[[6-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(4,5-dimethoxy-2-nitro-benzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(4,5-dimethoxy-2-nitro-benzoyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C19H17N3O7S2 MolecularWeight: 463.48418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C19H17N3O7S2/c1-27-14-7-11(13(22(25)26)8-15(14)28-2)18(24)20-10-4-5-12-16(6-10)31-19(21-12)30-9-17(23)29-3/h4-8H,9H2,1-3H3,(H,20,24)