3-oxidanylpropyl 7-thiabicyclo[2.2.1]hept-2-ene-5-carboxylate

Systemtic Name: 3-oxidanylpropyl 7-thiabicyclo[2.2.1]hept-2-ene-5-carboxylate Openeye Name: 3-hydroxypropyl 7-thiabicyclo[2.2.1]hept-2-ene-5-carboxylate CAS Name: 7-thiabicyclo[2.2.1]hept-2-ene-5-carboxylic acid 3-hydroxypropyl ester IUPAC Name: 3-hydroxypropyl 7-thiabicyclo[2.2.1]hept-2-ene-5-carboxylate Traditional Name: 7-thiabicyclo[2.2.1]hept-2-ene-5-carboxylic acid 3-hydroxypropyl ester Formula: C10H14O3S MolecularWeight: 214.28136

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC(C1C(=O)OCCCO)S2

Isomeric SMILES

C1C2C=CC(C1C(=O)OCCCO)S2

InChI

InChI=1S/C10H14O3S/c11-4-1-5-13-10(12)8-6-7-2-3-9(8)14-7/h2-3,7-9,11H,1,4-6H2