methyl 3-azanyl-5-(4-chloranylcyclohexyl)thiolane-2-carboxylate

Systemtic Name: methyl 3-azanyl-5-(4-chloranylcyclohexyl)thiolane-2-carboxylate Openeye Name: methyl 3-amino-5-(4-chlorocyclohexyl)tetrahydrothiophene-2-carboxylate CAS Name: 3-amino-5-(4-chlorocyclohexyl)-2-thiolanecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-(4-chlorocyclohexyl)thiolane-2-carboxylate Traditional Name: 3-amino-5-(4-chlorocyclohexyl)tetrahydrothiophene-2-carboxylic acid methyl ester Formula: C12H20ClNO2S MolecularWeight: 277.8107

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CC(S1)C2CCC(CC2)Cl)N

Isomeric SMILES

COC(=O)C1C(CC(S1)C2CCC(CC2)Cl)N

InChI

InChI=1S/C12H20ClNO2S/c1-16-12(15)11-9(14)6-10(17-11)7-2-4-8(13)5-3-7/h7-11H,2-6,14H2,1H3