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

Systemtic Name: tert-butyl 2-(4-ethylphenyl)-1,1-bis(oxidanylidene)-3H-1,2-benzothiazole-3-carboxylate Openeye Name: tert-butyl 2-(4-ethylphenyl)-1,1-dioxo-3H-1,2-benzothiazole-3-carboxylate CAS Name: 2-(4-ethylphenyl)-1,1-dioxo-3H-1,2-benzothiazole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-ethylphenyl)-1,1-dioxo-3H-1,2-benzothiazole-3-carboxylate Traditional Name: 2-(4-ethylphenyl)-1,1-diketo-3H-1,2-benzothiazole-3-carboxylic acid tert-butyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(C3=CC=CC=C3S2(=O)=O)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(C3=CC=CC=C3S2(=O)=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H23NO4S/c1-5-14-10-12-15(13-11-14)21-18(19(22)25-20(2,3)4)16-8-6-7-9-17(16)26(21,23)24/h6-13,18H,5H2,1-4H3