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

Systemtic Name: methyl 2-azanyl-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate Openeye Name: methyl 2-amino-3-(2-thioxo-1,3-dihydroimidazol-4-yl)propanoate CAS Name: 2-amino-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate Traditional Name: 2-amino-3-(2-thioxo-4-imidazolin-4-yl)propionic acid methyl ester Formula: C7H11N3O2S MolecularWeight: 201.24614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC(=S)N1)N

Isomeric SMILES

COC(=O)C(CC1=CNC(=S)N1)N

InChI

InChI=1S/C7H11N3O2S/c1-12-6(11)5(8)2-4-3-9-7(13)10-4/h3,5H,2,8H2,1H3,(H2,9,10,13)