2-[(4-tert-butylphenyl)amino]-2-[5-(furan-2-ylmethylsulfanylmethyl)furan-2-yl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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