S-[[(1S,2S)-2-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methyl] ethanethioate

Systemtic Name: S-[[(1S,2S)-2-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methyl] ethanethioate Openeye Name: S-[[(1S,2S)-2-(tert-butoxycarbonylamino)-2-cyano-cyclopropyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[(1S,2S)-2-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclopropyl]methyl] ester IUPAC Name: S-[[(1S,2S)-2-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[(1S,2S)-2-(tert-butoxycarbonylamino)-2-cyano-cyclopropyl]methyl] ester Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CC1(C#N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SC[C@H]1C[C@]1(C#N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C12H18N2O3S/c1-8(15)18-6-9-5-12(9,7-13)14-10(16)17-11(2,3)4/h9H,5-6H2,1-4H3,(H,14,16)/t9-,12-/m1/s1