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

Systemtic Name: 2-[(4-tert-butylphenyl)amino]-2-[5-(methylsulfanylmethyl)furan-2-yl]ethanoic acid Openeye Name: 2-(4-tert-butylanilino)-2-[5-(methylsulfanylmethyl)-2-furyl]acetic acid CAS Name: 2-(4-tert-butylanilino)-2-[5-[(methylthio)methyl]-2-furanyl]acetic acid IUPAC Name: 2-(4-tert-butylanilino)-2-[5-(methylsulfanylmethyl)furan-2-yl]acetic acid Traditional Name: 2-(4-tert-butylanilino)-2-[5-[(methylthio)methyl]-2-furyl]acetic acid Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(C2=CC=C(O2)CSC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(C2=CC=C(O2)CSC)C(=O)O

InChI

InChI=1S/C18H23NO3S/c1-18(2,3)12-5-7-13(8-6-12)19-16(17(20)21)15-10-9-14(22-15)11-23-4/h5-10,16,19H,11H2,1-4H3,(H,20,21)