[2-(1,3-benzothiazol-2-yl)-5-[(2-bromophenyl)carbonylamino]phenyl] 2-bromanylbenzoate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)-5-[(2-bromophenyl)carbonylamino]phenyl] 2-bromanylbenzoate Openeye Name: [2-(1,3-benzothiazol-2-yl)-5-[(2-bromobenzoyl)amino]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-(1,3-benzothiazol-2-yl)-5-[[(2-bromophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)-5-[(2-bromobenzoyl)amino]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-(1,3-benzothiazol-2-yl)-5-[(2-bromobenzoyl)amino]phenyl] ester Formula: C27H16Br2N2O3S MolecularWeight: 608.30054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=CC=C5Br)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=CC=C5Br)Br

InChI

InChI=1S/C27H16Br2N2O3S/c28-20-9-3-1-7-17(20)25(32)30-16-13-14-19(26-31-22-11-5-6-12-24(22)35-26)23(15-16)34-27(33)18-8-2-4-10-21(18)29/h1-15H,(H,30,32)