methyl 1-phenyl-2-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methylsulfanyl]imidazole-4-carboxylate

Systemtic Name: methyl 1-phenyl-2-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methylsulfanyl]imidazole-4-carboxylate Openeye Name: methyl 1-phenyl-2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methylsulfanyl]imidazole-4-carboxylate CAS Name: 1-phenyl-2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methylthio]-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 1-phenyl-2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methylsulfanyl]imidazole-4-carboxylate Traditional Name: 1-phenyl-2-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methylthio]imidazole-4-carboxylic acid methyl ester Formula: C19H15N3O5S2 MolecularWeight: 429.4695

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=N1)SCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN(C(=N1)SCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4

InChI

InChI=1S/C19H15N3O5S2/c1-27-18(24)15-11-21(13-7-3-2-4-8-13)19(20-15)28-12-22-17(23)14-9-5-6-10-16(14)29(22,25)26/h2-11H,12H2,1H3