[1-[2-[(N'-cyanocarbamimidoyl)-methyl-amino]ethylsulfanyl]-3-oxidanylidene-butan-2-yl] methanoate

Systemtic Name: [1-[2-[(N'-cyanocarbamimidoyl)-methyl-amino]ethylsulfanyl]-3-oxidanylidene-butan-2-yl] methanoate Openeye Name: [1-[2-[(N'-cyanocarbamimidoyl)-methyl-amino]ethylsulfanylmethyl]-2-oxo-propyl] formate CAS Name: formic acid [1-[2-[[amino(cyanoimino)methyl]-methylamino]ethylthio]-3-oxobutan-2-yl] ester IUPAC Name: [1-[2-[(N'-cyanocarbamimidoyl)-methylamino]ethylsulfanyl]-3-oxobutan-2-yl] formate Traditional Name: formic acid [1-[[2-[(N'-cyanoamidino)-methyl-amino]ethylthio]methyl]-2-keto-propyl] ester Formula: C10H16N4O3S MolecularWeight: 272.32404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CSCCN(C)C(=NC#N)N)OC=O

Isomeric SMILES

CC(=O)C(CSCCN(C)C(=NC#N)N)OC=O

InChI

InChI=1S/C10H16N4O3S/c1-8(16)9(17-7-15)5-18-4-3-14(2)10(12)13-6-11/h7,9H,3-5H2,1-2H3,(H2,12,13)