2-[3-[4-(butylamino)phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[3-[4-(butylamino)phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[4-(butylamino)phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[4-(butylamino)phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[4-(butylamino)phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[4-(butylamino)phenyl]thio]phenyl]acetic acid Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)SC2=CC=CC(=C2)CC(=O)O

Isomeric SMILES

CCCCNC1=CC=C(C=C1)SC2=CC=CC(=C2)CC(=O)O

InChI

InChI=1S/C18H21NO2S/c1-2-3-11-19-15-7-9-16(10-8-15)22-17-6-4-5-14(12-17)13-18(20)21/h4-10,12,19H,2-3,11,13H2,1H3,(H,20,21)