2-[(4-butan-2-ylphenyl)amino]-2-[5-(furan-2-ylmethylsulfanylmethyl)furan-2-yl]ethanoic acid

Systemtic Name: 2-[(4-butan-2-ylphenyl)amino]-2-[5-(furan-2-ylmethylsulfanylmethyl)furan-2-yl]ethanoic acid Openeye Name: 2-[5-(2-furylmethylsulfanylmethyl)-2-furyl]-2-(4-sec-butylanilino)acetic acid CAS Name: 2-(4-butan-2-ylanilino)-2-[5-[(2-furanylmethylthio)methyl]-2-furanyl]acetic acid IUPAC Name: 2-(4-butan-2-ylanilino)-2-[5-(furan-2-ylmethylsulfanylmethyl)furan-2-yl]acetic acid Traditional Name: 2-[5-[(2-furfurylthio)methyl]-2-furyl]-2-(4-sec-butylanilino)acetic acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(C2=CC=C(O2)CSCC3=CC=CO3)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(C2=CC=C(O2)CSCC3=CC=CO3)C(=O)O

InChI

InChI=1S/C22H25NO4S/c1-3-15(2)16-6-8-17(9-7-16)23-21(22(24)25)20-11-10-19(27-20)14-28-13-18-5-4-12-26-18/h4-12,15,21,23H,3,13-14H2,1-2H3,(H,24,25)