methyl (2S)-2-(dimethylamino)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate

Systemtic Name: methyl (2S)-2-(dimethylamino)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate Openeye Name: methyl (2S)-2-(dimethylamino)-3-(2-thioxo-1,3-dihydroimidazol-4-yl)propanoate CAS Name: (2S)-2-(dimethylamino)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(dimethylamino)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate Traditional Name: (2S)-2-(dimethylamino)-3-(2-thioxo-4-imidazolin-4-yl)propionic acid methyl ester Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC1=CNC(=S)N1)C(=O)OC

Isomeric SMILES

CN(C)[C@@H](CC1=CNC(=S)N1)C(=O)OC

InChI

InChI=1S/C9H15N3O2S/c1-12(2)7(8(13)14-3)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2,10,11,15)/t7-/m0/s1