methyl 4-(thian-4-ylamino)benzoate

Systemtic Name: methyl 4-(thian-4-ylamino)benzoate Openeye Name: methyl 4-(tetrahydrothiopyran-4-ylamino)benzoate CAS Name: 4-(4-thianylamino)benzoic acid methyl ester IUPAC Name: methyl 4-(thian-4-ylamino)benzoate Traditional Name: 4-(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=C(C=C1)NC2CCSCC2

Isomeric SMILES

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

InChI

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