methyl 3-[2-[[(cyanoamino)-methylsulfanyl-methylidene]amino]ethylamino]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[2-[[(cyanoamino)-methylsulfanyl-methylidene]amino]ethylamino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[2-[[(cyanoamino)-methylsulfanyl-methylene]amino]ethylamino]-3-oxo-propanoate CAS Name: 3-[2-[[(cyanoamino)-(methylthio)methylidene]amino]ethylamino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[2-[[(cyanoamino)-methylsulfanylmethylidene]amino]ethylamino]-3-oxopropanoate Traditional Name: 3-[2-[[(cyanoamino)-(methylthio)methylene]amino]ethylamino]-3-keto-propionic acid methyl ester Formula: C9H14N4O3S MolecularWeight: 258.29746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)NCCN=C(NC#N)SC

Isomeric SMILES

COC(=O)CC(=O)NCCN=C(NC#N)SC

InChI

InChI=1S/C9H14N4O3S/c1-16-8(15)5-7(14)11-3-4-12-9(17-2)13-6-10/h3-5H2,1-2H3,(H,11,14)(H,12,13)