methyl 4-methyl-2-(thian-2-ylamino)pentanoate

Systemtic Name: methyl 4-methyl-2-(thian-2-ylamino)pentanoate Openeye Name: methyl 4-methyl-2-(tetrahydrothiopyran-2-ylamino)pentanoate CAS Name: 4-methyl-2-(2-thianylamino)pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-(thian-2-ylamino)pentanoate Traditional Name: 4-methyl-2-(tetrahydrothiopyran-2-ylamino)valeric acid methyl ester Formula: C12H23NO2S MolecularWeight: 245.38152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC1CCCCS1

Isomeric SMILES

CC(C)CC(C(=O)OC)NC1CCCCS1

InChI

InChI=1S/C12H23NO2S/c1-9(2)8-10(12(14)15-3)13-11-6-4-5-7-16-11/h9-11,13H,4-8H2,1-3H3