(2S)-2-(4-chlorophenyl)sulfanyl-4-(4-ethoxyphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-(4-chlorophenyl)sulfanyl-4-(4-ethoxyphenyl)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-(4-chlorophenyl)sulfanyl-4-(4-ethoxyphenyl)-4-oxo-butanoic acid CAS Name: (2S)-2-[(4-chlorophenyl)thio]-4-(4-ethoxyphenyl)-4-oxobutanoic acid IUPAC Name: (2S)-2-(4-chlorophenyl)sulfanyl-4-(4-ethoxyphenyl)-4-oxobutanoic acid Traditional Name: (2S)-2-[(4-chlorophenyl)thio]-4-keto-4-p-phenetyl-butyric acid Formula: C18H17ClO4S MolecularWeight: 364.84318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[C@@H](C(=O)O)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H17ClO4S/c1-2-23-14-7-3-12(4-8-14)16(20)11-17(18(21)22)24-15-9-5-13(19)6-10-15/h3-10,17H,2,11H2,1H3,(H,21,22)/t17-/m0/s1