5-[methyl-[2-[4-(octadecanoylamino)phenyl]ethanoyl]amino]-2-methylsulfanyl-benzoic acid

Systemtic Name: 5-[methyl-[2-[4-(octadecanoylamino)phenyl]ethanoyl]amino]-2-methylsulfanyl-benzoic acid Openeye Name: 5-[methyl-[2-[4-(octadecanoylamino)phenyl]acetyl]amino]-2-methylsulfanyl-benzoic acid CAS Name: 5-[methyl-[1-oxo-2-[4-(1-oxooctadecylamino)phenyl]ethyl]amino]-2-(methylthio)benzoic acid IUPAC Name: 5-[methyl-[2-[4-(octadecanoylamino)phenyl]acetyl]amino]-2-methylsulfanylbenzoic acid Traditional Name: 5-[methyl-[2-(4-stearamidophenyl)acetyl]amino]-2-(methylthio)benzoic acid Formula: C35H52N2O4S MolecularWeight: 596.86338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)CC(=O)N(C)C2=CC(=C(C=C2)SC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)CC(=O)N(C)C2=CC(=C(C=C2)SC)C(=O)O

InChI

InChI=1S/C35H52N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(38)36-29-22-20-28(21-23-29)26-34(39)37(2)30-24-25-32(42-3)31(27-30)35(40)41/h20-25,27H,4-19,26H2,1-3H3,(H,36,38)(H,40,41)