(2S)-2-[(3,4-dimethylphenyl)amino]-2-thiophen-2-yl-ethanoic acid

Systemtic Name: (2S)-2-[(3,4-dimethylphenyl)amino]-2-thiophen-2-yl-ethanoic acid Openeye Name: (2S)-2-(3,4-dimethylanilino)-2-(2-thienyl)acetic acid CAS Name: (2S)-2-(3,4-dimethylanilino)-2-thiophen-2-ylacetic acid IUPAC Name: (2S)-2-(3,4-dimethylanilino)-2-thiophen-2-ylacetic acid Traditional Name: (2S)-2-(3,4-dimethylanilino)-2-(2-thienyl)acetic acid Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(C2=CC=CS2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H](C2=CC=CS2)C(=O)O)C

InChI

InChI=1S/C14H15NO2S/c1-9-5-6-11(8-10(9)2)15-13(14(16)17)12-4-3-7-18-12/h3-8,13,15H,1-2H3,(H,16,17)/t13-/m1/s1