carbamic acid; (2,2-diethyl-3-methyl-1,2-oxazol-2-ium-3-id-5-yl)methanethiol

Systemtic Name: carbamic acid; (2,2-diethyl-3-methyl-1,2-oxazol-2-ium-3-id-5-yl)methanethiol Openeye Name: carbamic acid; (2,2-diethyl-3-methyl-isoxazol-2-ium-3-id-5-yl)methanethiol CAS Name: carbamic acid; (2,2-diethyl-3-methyl-5-isoxazol-2-ium-3-idyl)methanethiol IUPAC Name: carbamic acid; (2,2-diethyl-3-methyl-1,2-oxazol-2-ium-3-id-5-yl)methanethiol Traditional Name: carbamic acid; (2,2-diethyl-3-methyl-4-isoxazolin-2-ium-3-id-5-yl)methanethiol Formula: C10H20N2O3S MolecularWeight: 248.3424

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1([C-](C=C(O1)CS)C)CC.C(=O)(N)O

Isomeric SMILES

CC[N+]1([C-](C=C(O1)CS)C)CC.C(=O)(N)O

InChI

InChI=1S/C9H17NOS.CH3NO2/c1-4-10(5-2)8(3)6-9(7-12)11-10;2-1(3)4/h6,12H,4-5,7H2,1-3H3;2H2,(H,3,4)