methyl 2-methyl-3-(thian-4-ylamino)benzoate

Systemtic Name: methyl 2-methyl-3-(thian-4-ylamino)benzoate Openeye Name: methyl 2-methyl-3-(tetrahydrothiopyran-4-ylamino)benzoate CAS Name: 2-methyl-3-(4-thianylamino)benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-(thian-4-ylamino)benzoate Traditional Name: 2-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=CC=C1NC2CCSCC2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC2CCSCC2)C(=O)OC

InChI

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