(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-bromanylbenzoate

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-bromanylbenzoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C18H15BrN2O2S MolecularWeight: 403.2929

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H15BrN2O2S/c19-13-5-3-12(4-6-13)17(22)23-14-7-8-15-16(11-14)24-18(20-15)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2