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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethyl 4-bromanylbenzoate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl ester IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]ethyl ester Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCOC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCOC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H13BrN2O4S/c17-12-7-5-11(6-8-12)16(20)23-10-9-18-15-13-3-1-2-4-14(13)24(21,22)19-15/h1-8H,9-10H2,(H,18,19)