S-(2-acetamidoethyl) (3S)-3-oxidanyl-3-phenyl-propanethioate

Systemtic Name: S-(2-acetamidoethyl) (3S)-3-oxidanyl-3-phenyl-propanethioate Openeye Name: S-(2-acetamidoethyl) (3S)-3-hydroxy-3-phenyl-propanethioate CAS Name: (3S)-3-hydroxy-3-phenylpropanethioic acid S-(2-acetamidoethyl) ester IUPAC Name: S-(2-acetamidoethyl) (3S)-3-hydroxy-3-phenylpropanethioate Traditional Name: (3S)-3-hydroxy-3-phenyl-propanethioic acid S-(2-acetamidoethyl) ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC(=O)CC(C1=CC=CC=C1)O

Isomeric SMILES

CC(=O)NCCSC(=O)C[C@@H](C1=CC=CC=C1)O

InChI

InChI=1S/C13H17NO3S/c1-10(15)14-7-8-18-13(17)9-12(16)11-5-3-2-4-6-11/h2-6,12,16H,7-9H2,1H3,(H,14,15)/t12-/m0/s1