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

Systemtic Name: 2-[5-(furan-2-ylmethylsulfanylmethyl)furan-2-yl]-2-[(2-propan-2-ylphenyl)amino]ethanoic acid Openeye Name: 2-[5-(2-furylmethylsulfanylmethyl)-2-furyl]-2-(2-isopropylanilino)acetic acid CAS Name: 2-[5-[(2-furanylmethylthio)methyl]-2-furanyl]-2-(2-propan-2-ylanilino)acetic acid IUPAC Name: 2-[5-(furan-2-ylmethylsulfanylmethyl)furan-2-yl]-2-(2-propan-2-ylanilino)acetic acid Traditional Name: 2-[5-[(2-furfurylthio)methyl]-2-furyl]-2-(2-isopropylanilino)acetic acid Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(C2=CC=C(O2)CSCC3=CC=CO3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(C2=CC=C(O2)CSCC3=CC=CO3)C(=O)O

InChI

InChI=1S/C21H23NO4S/c1-14(2)17-7-3-4-8-18(17)22-20(21(23)24)19-10-9-16(26-19)13-27-12-15-6-5-11-25-15/h3-11,14,20,22H,12-13H2,1-2H3,(H,23,24)