[2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-2-methyl-propyl] 4-butoxybenzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-2-methyl-propyl] 4-butoxybenzoate Openeye Name: [2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-methyl-propyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-methylpropyl] ester IUPAC Name: [2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-methylpropyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-2-methyl-propyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(C)(C)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(C)(C)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C22H26N2O5S/c1-4-5-14-28-17-12-10-16(11-13-17)21(25)29-15-22(2,3)23-20-18-8-6-7-9-19(18)30(26,27)24-20/h6-13H,4-5,14-15H2,1-3H3,(H,23,24)