2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]ethyl 4-tert-butylbenzoate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]ethyl 4-tert-butylbenzoate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]ethyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethyl ester IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCN(C)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCN(C)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H24N2O4S/c1-21(2,3)16-11-9-15(10-12-16)20(24)27-14-13-23(4)19-17-7-5-6-8-18(17)28(25,26)22-19/h5-12H,13-14H2,1-4H3