tert-butyl 2-(N-cyano-N'-phenyl-carbamimidoyl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(N-cyano-N'-phenyl-carbamimidoyl)sulfanylethanoate Openeye Name: tert-butyl 2-(N-cyano-N'-phenyl-carbamimidoyl)sulfanylacetate CAS Name: 2-[[(cyanoamino)-phenyliminomethyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(N-cyano-N'-phenylcarbamimidoyl)sulfanylacetate Traditional Name: 2-[(N-cyano-N'-phenyl-amidino)thio]acetic acid tert-butyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC(=NC1=CC=CC=C1)NC#N

Isomeric SMILES

CC(C)(C)OC(=O)CSC(=NC1=CC=CC=C1)NC#N

InChI

InChI=1S/C14H17N3O2S/c1-14(2,3)19-12(18)9-20-13(16-10-15)17-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,16,17)