[(1R)-1-cyanoethyl] 2-[(R)-(4-chlorophenyl)-phenyl-methyl]sulfanylethanoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[(R)-(4-chlorophenyl)-phenyl-methyl]sulfanylethanoate Openeye Name: [(1R)-1-cyanoethyl] 2-[(R)-(4-chlorophenyl)-phenyl-methyl]sulfanylacetate CAS Name: 2-[[(R)-(4-chlorophenyl)-phenylmethyl]thio]acetic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate Traditional Name: 2-[[(R)-(4-chlorophenyl)-phenyl-methyl]thio]acetic acid [(1R)-1-cyanoethyl] ester Formula: C18H16ClNO2S MolecularWeight: 345.84314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CSC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C#N)OC(=O)CS[C@H](C1=CC=CC=C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H16ClNO2S/c1-13(11-20)22-17(21)12-23-18(14-5-3-2-4-6-14)15-7-9-16(19)10-8-15/h2-10,13,18H,12H2,1H3/t13-,18-/m1/s1