3-methyl-2-[5-(methylsulfanylmethyl)furan-2-yl]-2-phenylazanyl-butanoic acid

Systemtic Name: 3-methyl-2-[5-(methylsulfanylmethyl)furan-2-yl]-2-phenylazanyl-butanoic acid Openeye Name: 2-anilino-3-methyl-2-[5-(methylsulfanylmethyl)-2-furyl]butanoic acid CAS Name: 2-anilino-3-methyl-2-[5-[(methylthio)methyl]-2-furanyl]butanoic acid IUPAC Name: 2-anilino-3-methyl-2-[5-(methylsulfanylmethyl)furan-2-yl]butanoic acid Traditional Name: 2-anilino-3-methyl-2-[5-[(methylthio)methyl]-2-furyl]butyric acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(O1)CSC)(C(=O)O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C1=CC=C(O1)CSC)(C(=O)O)NC2=CC=CC=C2

InChI

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