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

Systemtic Name: 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butyl 2-bromanylbenzoate Openeye Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butyl ester IUPAC Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]butyl ester Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCCOC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCCOC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C18H17BrN2O4S/c19-15-9-3-1-7-13(15)18(22)25-12-6-5-11-20-17-14-8-2-4-10-16(14)26(23,24)21-17/h1-4,7-10H,5-6,11-12H2,(H,20,21)