(E)-3-[(S)-(4-chlorophenyl)sulfanyl-phenyl-methyl]-4-oxidanyl-pent-3-en-2-one

Systemtic Name: (E)-3-[(S)-(4-chlorophenyl)sulfanyl-phenyl-methyl]-4-oxidanyl-pent-3-en-2-one Openeye Name: (E)-3-[(S)-(4-chlorophenyl)sulfanyl-phenyl-methyl]-4-hydroxy-pent-3-en-2-one CAS Name: (E)-3-[(S)-[(4-chlorophenyl)thio]-phenylmethyl]-4-hydroxy-3-penten-2-one IUPAC Name: (E)-3-[(S)-(4-chlorophenyl)sulfanyl-phenylmethyl]-4-hydroxypent-3-en-2-one Traditional Name: (E)-3-[(S)-[(4-chlorophenyl)thio]-phenyl-methyl]-4-hydroxy-pent-3-en-2-one Formula: C18H17ClO2S MolecularWeight: 332.84438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClO2S/c1-12(20)17(13(2)21)18(14-6-4-3-5-7-14)22-16-10-8-15(19)9-11-16/h3-11,18,20H,1-2H3/b17-12+/t18-/m0/s1