2-[3-[4-(ethylcarbamoyl)-2-(propan-2-ylsulfanylmethyl)phenoxy]-4-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-(ethylcarbamoyl)-2-(propan-2-ylsulfanylmethyl)phenoxy]-4-methoxy-phenyl]ethanoic acid Openeye Name: 2-[3-[4-(ethylcarbamoyl)-2-(isopropylsulfanylmethyl)phenoxy]-4-methoxy-phenyl]acetic acid CAS Name: 2-[3-[4-(ethylcarbamoyl)-2-[(propan-2-ylthio)methyl]phenoxy]-4-methoxyphenyl]acetic acid IUPAC Name: 2-[3-[4-(ethylcarbamoyl)-2-(propan-2-ylsulfanylmethyl)phenoxy]-4-methoxyphenyl]acetic acid Traditional Name: 2-[3-[4-(ethylcarbamoyl)-2-[(isopropylthio)methyl]phenoxy]-4-methoxy-phenyl]acetic acid Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(C=C1)OC2=C(C=CC(=C2)CC(=O)O)OC)CSC(C)C

Isomeric SMILES

CCNC(=O)C1=CC(=C(C=C1)OC2=C(C=CC(=C2)CC(=O)O)OC)CSC(C)C

InChI

InChI=1S/C22H27NO5S/c1-5-23-22(26)16-7-9-18(17(12-16)13-29-14(2)3)28-20-10-15(11-21(24)25)6-8-19(20)27-4/h6-10,12,14H,5,11,13H2,1-4H3,(H,23,26)(H,24,25)