4-(4-methoxyphenyl)-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-methoxyphenyl)-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-methoxyphenyl)-2-(2-naphthylsulfanyl)-4-oxo-butanoic acid CAS Name: 4-(4-methoxyphenyl)-2-(2-naphthalenylthio)-4-oxobutanoic acid IUPAC Name: 4-(4-methoxyphenyl)-2-naphthalen-2-ylsulfanyl-4-oxobutanoic acid Traditional Name: 4-keto-4-(4-methoxyphenyl)-2-(2-naphthylthio)butyric acid Formula: C21H18O4S MolecularWeight: 366.43022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H18O4S/c1-25-17-9-6-15(7-10-17)19(22)13-20(21(23)24)26-18-11-8-14-4-2-3-5-16(14)12-18/h2-12,20H,13H2,1H3,(H,23,24)