methyl (2R)-2-acetamido-3-(3-oxidanylidenecycloheptyl)sulfanyl-propanoate

Systemtic Name: methyl (2R)-2-acetamido-3-(3-oxidanylidenecycloheptyl)sulfanyl-propanoate Openeye Name: methyl (2R)-2-acetamido-3-(3-oxocycloheptyl)sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[(3-oxocycloheptyl)thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-acetamido-3-(3-oxocycloheptyl)sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[(3-ketocycloheptyl)thio]propionic acid methyl ester Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1CCCCC(=O)C1)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CSC1CCCCC(=O)C1)C(=O)OC

InChI

InChI=1S/C13H21NO4S/c1-9(15)14-12(13(17)18-2)8-19-11-6-4-3-5-10(16)7-11/h11-12H,3-8H2,1-2H3,(H,14,15)/t11?,12-/m0/s1