2-[(4-chlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-4-oxo-butanoic acid CAS Name: 2-[(4-chlorophenyl)methylthio]-4-(4-ethoxyphenyl)-4-oxobutanoic acid IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid Traditional Name: 2-[(4-chlorobenzyl)thio]-4-keto-4-p-phenetyl-butyric acid Formula: C19H19ClO4S MolecularWeight: 378.86976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H19ClO4S/c1-2-24-16-9-5-14(6-10-16)17(21)11-18(19(22)23)25-12-13-3-7-15(20)8-4-13/h3-10,18H,2,11-12H2,1H3,(H,22,23)