methyl 4-methyl-3-(thian-4-ylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(thian-4-ylamino)benzoate Openeye Name: methyl 4-methyl-3-(tetrahydrothiopyran-4-ylamino)benzoate CAS Name: 4-methyl-3-(4-thianylamino)benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(thian-4-ylamino)benzoate Traditional Name: 4-methyl-3-(tetrahydrothiopyran-4-ylamino)benzoic acid methyl ester Formula: C14H19NO2S MolecularWeight: 265.37116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC2CCSCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC2CCSCC2

InChI

InChI=1S/C14H19NO2S/c1-10-3-4-11(14(16)17-2)9-13(10)15-12-5-7-18-8-6-12/h3-4,9,12,15H,5-8H2,1-2H3