S-(2-acetamidoethyl) (3S)-4-(2-methyl-1,3-dithian-2-yl)-3-oxidanyl-butanethioate

Systemtic Name: S-(2-acetamidoethyl) (3S)-4-(2-methyl-1,3-dithian-2-yl)-3-oxidanyl-butanethioate Openeye Name: S-(2-acetamidoethyl) (3S)-3-hydroxy-4-(2-methyl-1,3-dithian-2-yl)butanethioate CAS Name: (3S)-3-hydroxy-4-(2-methyl-1,3-dithian-2-yl)butanethioic acid S-(2-acetamidoethyl) ester IUPAC Name: S-(2-acetamidoethyl) (3S)-3-hydroxy-4-(2-methyl-1,3-dithian-2-yl)butanethioate Traditional Name: (3S)-3-hydroxy-4-(2-methyl-1,3-dithian-2-yl)butanethioic acid S-(2-acetamidoethyl) ester Formula: C13H23NO3S3 MolecularWeight: 337.52162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC(=O)CC(CC1(SCCCS1)C)O

Isomeric SMILES

CC(=O)NCCSC(=O)C[C@@H](CC1(SCCCS1)C)O

InChI

InChI=1S/C13H23NO3S3/c1-10(15)14-4-7-18-12(17)8-11(16)9-13(2)19-5-3-6-20-13/h11,16H,3-9H2,1-2H3,(H,14,15)/t11-/m0/s1