3-methyl-4-(thiophen-2-ylmethylamino)benzoate

Systemtic Name: 3-methyl-4-(thiophen-2-ylmethylamino)benzoate Openeye Name: 3-methyl-4-(2-thienylmethylamino)benzoate CAS Name: 3-methyl-4-(thiophen-2-ylmethylamino)benzoate IUPAC Name: 3-methyl-4-(thiophen-2-ylmethylamino)benzoate Traditional Name: 3-methyl-4-(2-thenylamino)benzoate Formula: C13H12NO2S- MolecularWeight: 246.30488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])NCC2=CC=CS2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])NCC2=CC=CS2

InChI

InChI=1S/C13H13NO2S/c1-9-7-10(13(15)16)4-5-12(9)14-8-11-3-2-6-17-11/h2-7,14H,8H2,1H3,(H,15,16)/p-1