tert-butyl 2-(4-methylphenyl)-1,1-bis(oxidanylidene)-3H-1,2-benzothiazole-3-carboxylate

Systemtic Name: tert-butyl 2-(4-methylphenyl)-1,1-bis(oxidanylidene)-3H-1,2-benzothiazole-3-carboxylate Openeye Name: tert-butyl 1,1-dioxo-2-(p-tolyl)-3H-1,2-benzothiazole-3-carboxylate CAS Name: 2-(4-methylphenyl)-1,1-dioxo-3H-1,2-benzothiazole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-methylphenyl)-1,1-dioxo-3H-1,2-benzothiazole-3-carboxylate Traditional Name: 1,1-diketo-2-(p-tolyl)-3H-1,2-benzothiazole-3-carboxylic acid tert-butyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C3=CC=CC=C3S2(=O)=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C3=CC=CC=C3S2(=O)=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H21NO4S/c1-13-9-11-14(12-10-13)20-17(18(21)24-19(2,3)4)15-7-5-6-8-16(15)25(20,22)23/h5-12,17H,1-4H3