methyl 2-(3,3-dimethyl-2-propan-2-ylimino-butyl)sulfanylethanoate

Systemtic Name: methyl 2-(3,3-dimethyl-2-propan-2-ylimino-butyl)sulfanylethanoate Openeye Name: methyl 2-(2-isopropylimino-3,3-dimethyl-butyl)sulfanylacetate CAS Name: 2-[(3,3-dimethyl-2-propan-2-yliminobutyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethyl-2-propan-2-yliminobutyl)sulfanylacetate Traditional Name: 2-[(2-isopropylimino-3,3-dimethyl-butyl)thio]acetic acid methyl ester Formula: C12H23NO2S MolecularWeight: 245.38152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(CSCC(=O)OC)C(C)(C)C

Isomeric SMILES

CC(C)N=C(CSCC(=O)OC)C(C)(C)C

InChI

InChI=1S/C12H23NO2S/c1-9(2)13-10(12(3,4)5)7-16-8-11(14)15-6/h9H,7-8H2,1-6H3