3-thia-7-azabicyclo[3.3.1]nonan-9-yl 4-chloranylbenzoate

Systemtic Name: 3-thia-7-azabicyclo[3.3.1]nonan-9-yl 4-chloranylbenzoate Openeye Name: 3-thia-7-azabicyclo[3.3.1]nonan-9-yl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 3-thia-7-azabicyclo[3.3.1]nonan-9-yl ester IUPAC Name: 3-thia-7-azabicyclo[3.3.1]nonan-9-yl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 3-thia-7-azabicyclo[3.3.1]nonan-9-yl ester Formula: C14H16ClNO2S MolecularWeight: 297.80034

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CSCC(C2OC(=O)C3=CC=C(C=C3)Cl)CN1

Isomeric SMILES

C1C2CSCC(C2OC(=O)C3=CC=C(C=C3)Cl)CN1

InChI

InChI=1S/C14H16ClNO2S/c15-12-3-1-9(2-4-12)14(17)18-13-10-5-16-6-11(13)8-19-7-10/h1-4,10-11,13,16H,5-8H2