methyl 3-(thian-4-ylamino)benzoate

Systemtic Name: methyl 3-(thian-4-ylamino)benzoate Openeye Name: methyl 3-(tetrahydrothiopyran-4-ylamino)benzoate CAS Name: 3-(4-thianylamino)benzoic acid methyl ester IUPAC Name: methyl 3-(thian-4-ylamino)benzoate Traditional Name: 3-(tetrahydrothiopyran-4-ylamino)benzoic acid methyl ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2CCSCC2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2CCSCC2

InChI

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