S-(2-acetamidoethyl) (E)-4-methyl-5-oxidanyl-hept-2-enethioate

Systemtic Name: S-(2-acetamidoethyl) (E)-4-methyl-5-oxidanyl-hept-2-enethioate Openeye Name: S-(2-acetamidoethyl) (E)-5-hydroxy-4-methyl-hept-2-enethioate CAS Name: (E)-5-hydroxy-4-methyl-2-heptenethioic acid S-(2-acetamidoethyl) ester IUPAC Name: S-(2-acetamidoethyl) (E)-5-hydroxy-4-methylhept-2-enethioate Traditional Name: (E)-5-hydroxy-4-methyl-hept-2-enethioic acid S-(2-acetamidoethyl) ester Formula: C12H21NO3S MolecularWeight: 259.36504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C(C)/C=C/C(=O)SCCNC(=O)C)O

InChI

InChI=1S/C12H21NO3S/c1-4-11(15)9(2)5-6-12(16)17-8-7-13-10(3)14/h5-6,9,11,15H,4,7-8H2,1-3H3,(H,13,14)/b6-5+