tert-butyl 7-(4-aminophenyl)-1,1-bis(oxidanylidene)-3H-1,2-benzothiazole-2-carboxylate

Systemtic Name: tert-butyl 7-(4-aminophenyl)-1,1-bis(oxidanylidene)-3H-1,2-benzothiazole-2-carboxylate Openeye Name: tert-butyl 7-(4-aminophenyl)-1,1-dioxo-3H-1,2-benzothiazole-2-carboxylate CAS Name: 7-(4-aminophenyl)-1,1-dioxo-3H-1,2-benzothiazole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(4-aminophenyl)-1,1-dioxo-3H-1,2-benzothiazole-2-carboxylate Traditional Name: 7-(4-aminophenyl)-1,1-diketo-3H-1,2-benzothiazole-2-carboxylic acid tert-butyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC(=C2S1(=O)=O)C3=CC=C(C=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC(=C2S1(=O)=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C18H20N2O4S/c1-18(2,3)24-17(21)20-11-13-5-4-6-15(16(13)25(20,22)23)12-7-9-14(19)10-8-12/h4-10H,11,19H2,1-3H3