2-[3-[2-(tert-butylsulfanylmethyl)-4-(phenacylcarbamoyl)phenoxy]-4-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[3-[2-(tert-butylsulfanylmethyl)-4-(phenacylcarbamoyl)phenoxy]-4-methoxy-phenyl]ethanoic acid Openeye Name: 2-[3-[2-(tert-butylsulfanylmethyl)-4-(phenacylcarbamoyl)phenoxy]-4-methoxy-phenyl]acetic acid CAS Name: 2-[3-[2-[(tert-butylthio)methyl]-4-[oxo-(phenacylamino)methyl]phenoxy]-4-methoxyphenyl]acetic acid IUPAC Name: 2-[3-[2-(tert-butylsulfanylmethyl)-4-(phenacylcarbamoyl)phenoxy]-4-methoxyphenyl]acetic acid Traditional Name: 2-[3-[2-[(tert-butylthio)methyl]-4-(phenacylcarbamoyl)phenoxy]-4-methoxy-phenyl]acetic acid Formula: C29H31NO6S MolecularWeight: 521.62454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=C(C=CC(=C1)C(=O)NCC(=O)C2=CC=CC=C2)OC3=C(C=CC(=C3)CC(=O)O)OC

Isomeric SMILES

CC(C)(C)SCC1=C(C=CC(=C1)C(=O)NCC(=O)C2=CC=CC=C2)OC3=C(C=CC(=C3)CC(=O)O)OC

InChI

InChI=1S/C29H31NO6S/c1-29(2,3)37-18-22-16-21(28(34)30-17-23(31)20-8-6-5-7-9-20)11-13-24(22)36-26-14-19(15-27(32)33)10-12-25(26)35-4/h5-14,16H,15,17-18H2,1-4H3,(H,30,34)(H,32,33)