methyl 4-(thiomorpholin-4-ylmethyl)benzoate

Systemtic Name: methyl 4-(thiomorpholin-4-ylmethyl)benzoate Openeye Name: methyl 4-(thiomorpholinomethyl)benzoate CAS Name: 4-(thiomorpholin-4-ylmethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(thiomorpholin-4-ylmethyl)benzoate Traditional Name: 4-(thiomorpholinomethyl)benzoic acid methyl ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCSCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCSCC2

InChI

InChI=1S/C13H17NO2S/c1-16-13(15)12-4-2-11(3-5-12)10-14-6-8-17-9-7-14/h2-5H,6-10H2,1H3