methyl 2-acetamido-3-(2-oxidanylcyclohexyl)sulfanyl-propanoate

Systemtic Name: methyl 2-acetamido-3-(2-oxidanylcyclohexyl)sulfanyl-propanoate Openeye Name: methyl 2-acetamido-3-(2-hydroxycyclohexyl)sulfanyl-propanoate CAS Name: 2-acetamido-3-[(2-hydroxycyclohexyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-(2-hydroxycyclohexyl)sulfanylpropanoate Traditional Name: 2-acetamido-3-[(2-hydroxycyclohexyl)thio]propionic acid methyl ester Formula: C12H21NO4S MolecularWeight: 275.36444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1CCCCC1O)C(=O)OC

Isomeric SMILES

CC(=O)NC(CSC1CCCCC1O)C(=O)OC

InChI

InChI=1S/C12H21NO4S/c1-8(14)13-9(12(16)17-2)7-18-11-6-4-3-5-10(11)15/h9-11,15H,3-7H2,1-2H3,(H,13,14)