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

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-[(4-methoxyphenyl)methyl]amino]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(4-methoxyphenyl)methyl]amino]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(4-methoxyphenyl)methyl]amino]phenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(4-methoxyphenyl)methyl]amino]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)-p-anisyl-amino]phenyl] ester Formula: C28H21BrN2O5S MolecularWeight: 577.44574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C28H21BrN2O5S/c1-35-23-13-9-19(10-14-23)18-31(27-25-7-2-3-8-26(25)37(33,34)30-27)22-11-15-24(16-12-22)36-28(32)20-5-4-6-21(29)17-20/h2-17H,18H2,1H3