S-(2-acetamidoethyl) 2-methyl-3-oxidanyl-hept-6-enethioate

Systemtic Name: S-(2-acetamidoethyl) 2-methyl-3-oxidanyl-hept-6-enethioate Openeye Name: S-(2-acetamidoethyl) 3-hydroxy-2-methyl-hept-6-enethioate CAS Name: 3-hydroxy-2-methyl-6-heptenethioic acid S-(2-acetamidoethyl) ester IUPAC Name: S-(2-acetamidoethyl) 3-hydroxy-2-methylhept-6-enethioate Traditional Name: 3-hydroxy-2-methyl-hept-6-enethioic acid S-(2-acetamidoethyl) ester Formula: C12H21NO3S MolecularWeight: 259.36504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC=C)O)C(=O)SCCNC(=O)C

Isomeric SMILES

CC(C(CCC=C)O)C(=O)SCCNC(=O)C

InChI

InChI=1S/C12H21NO3S/c1-4-5-6-11(15)9(2)12(16)17-8-7-13-10(3)14/h4,9,11,15H,1,5-8H2,2-3H3,(H,13,14)