tert-butyl 2-(N-cyano-N'-prop-2-enyl-carbamimidoyl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(N-cyano-N'-prop-2-enyl-carbamimidoyl)sulfanylethanoate Openeye Name: tert-butyl 2-(N'-allyl-N-cyano-carbamimidoyl)sulfanylacetate CAS Name: 2-[[(cyanoamino)-prop-2-enyliminomethyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(N-cyano-N'-prop-2-enylcarbamimidoyl)sulfanylacetate Traditional Name: 2-[(N'-allyl-N-cyano-amidino)thio]acetic acid tert-butyl ester Formula: C11H17N3O2S MolecularWeight: 255.33658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC(=NCC=C)NC#N

Isomeric SMILES

CC(C)(C)OC(=O)CSC(=NCC=C)NC#N

InChI

InChI=1S/C11H17N3O2S/c1-5-6-13-10(14-8-12)17-7-9(15)16-11(2,3)4/h5H,1,6-7H2,2-4H3,(H,13,14)