4-methyl-5-[[(4-propan-2-ylphenyl)amino]methyl]thiophene-2-carboxylic acid

Systemtic Name: 4-methyl-5-[[(4-propan-2-ylphenyl)amino]methyl]thiophene-2-carboxylic acid Openeye Name: 5-[(4-isopropylanilino)methyl]-4-methyl-thiophene-2-carboxylic acid CAS Name: 4-methyl-5-[(4-propan-2-ylanilino)methyl]-2-thiophenecarboxylic acid IUPAC Name: 4-methyl-5-[(4-propan-2-ylanilino)methyl]thiophene-2-carboxylic acid Traditional Name: 5-(cumidinomethyl)-4-methyl-2-thenoic acid Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)O)CNC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=C(SC(=C1)C(=O)O)CNC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C16H19NO2S/c1-10(2)12-4-6-13(7-5-12)17-9-15-11(3)8-14(20-15)16(18)19/h4-8,10,17H,9H2,1-3H3,(H,18,19)