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

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]phenyl] butanoate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] butanoate CAS Name: butanoic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] butanoate Traditional Name: butyric acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)N(C)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)N(C)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H18N2O4S/c1-3-6-17(21)24-14-11-9-13(10-12-14)20(2)18-15-7-4-5-8-16(15)25(22,23)19-18/h4-5,7-12H,3,6H2,1-2H3