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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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