2-[5-(furan-2-ylmethylsulfanylmethyl)furan-2-yl]-2-phenylazanyl-butanoic acid

Systemtic Name: 2-[5-(furan-2-ylmethylsulfanylmethyl)furan-2-yl]-2-phenylazanyl-butanoic acid Openeye Name: 2-anilino-2-[5-(2-furylmethylsulfanylmethyl)-2-furyl]butanoic acid CAS Name: 2-anilino-2-[5-[(2-furanylmethylthio)methyl]-2-furanyl]butanoic acid IUPAC Name: 2-anilino-2-[5-(furan-2-ylmethylsulfanylmethyl)furan-2-yl]butanoic acid Traditional Name: 2-anilino-2-[5-[(2-furfurylthio)methyl]-2-furyl]butyric acid Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(O1)CSCC2=CC=CO2)(C(=O)O)NC3=CC=CC=C3

Isomeric SMILES

CCC(C1=CC=C(O1)CSCC2=CC=CO2)(C(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21NO4S/c1-2-20(19(22)23,21-15-7-4-3-5-8-15)18-11-10-17(25-18)14-26-13-16-9-6-12-24-16/h3-12,21H,2,13-14H2,1H3,(H,22,23)