2-[(4-propan-2-ylphenyl)-(thiophen-2-ylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(4-propan-2-ylphenyl)-(thiophen-2-ylmethyl)amino]ethanoic acid Openeye Name: 2-[4-isopropyl-N-(2-thienylmethyl)anilino]acetic acid CAS Name: 2-[4-propan-2-yl-N-(thiophen-2-ylmethyl)anilino]acetic acid IUPAC Name: 2-[4-propan-2-yl-N-(thiophen-2-ylmethyl)anilino]acetic acid Traditional Name: 2-[4-isopropyl-N-(2-thenyl)anilino]acetic acid Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N(CC2=CC=CS2)CC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N(CC2=CC=CS2)CC(=O)O

InChI

InChI=1S/C16H19NO2S/c1-12(2)13-5-7-14(8-6-13)17(11-16(18)19)10-15-4-3-9-20-15/h3-9,12H,10-11H2,1-2H3,(H,18,19)