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

Systemtic Name: methyl 3-methyl-4-(thiolan-3-ylamino)benzoate Openeye Name: methyl 3-methyl-4-(tetrahydrothiophen-3-ylamino)benzoate CAS Name: 3-methyl-4-(3-thiolanylamino)benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-(thiolan-3-ylamino)benzoate Traditional Name: 3-methyl-4-(tetrahydrothiophen-3-ylamino)benzoic acid methyl ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC2CCSC2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC2CCSC2

InChI

InChI=1S/C13H17NO2S/c1-9-7-10(13(15)16-2)3-4-12(9)14-11-5-6-17-8-11/h3-4,7,11,14H,5-6,8H2,1-2H3