2-[5-(methylsulfanylmethyl)furan-2-yl]-2-[(2-propan-2-ylphenyl)amino]ethanoic acid

Systemtic Name: 2-[5-(methylsulfanylmethyl)furan-2-yl]-2-[(2-propan-2-ylphenyl)amino]ethanoic acid Openeye Name: 2-(2-isopropylanilino)-2-[5-(methylsulfanylmethyl)-2-furyl]acetic acid CAS Name: 2-[5-[(methylthio)methyl]-2-furanyl]-2-(2-propan-2-ylanilino)acetic acid IUPAC Name: 2-[5-(methylsulfanylmethyl)furan-2-yl]-2-(2-propan-2-ylanilino)acetic acid Traditional Name: 2-(2-isopropylanilino)-2-[5-[(methylthio)methyl]-2-furyl]acetic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(C2=CC=C(O2)CSC)C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(C2=CC=C(O2)CSC)C(=O)O

InChI

InChI=1S/C17H21NO3S/c1-11(2)13-6-4-5-7-14(13)18-16(17(19)20)15-9-8-12(21-15)10-22-3/h4-9,11,16,18H,10H2,1-3H3,(H,19,20)