[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C16H17BrN2O3S MolecularWeight: 397.28678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H17BrN2O3S/c1-16(10-18,11-2-3-11)19-14(20)8-22-15(21)9-23-13-6-4-12(17)5-7-13/h4-7,11H,2-3,8-9H2,1H3,(H,19,20)/t16-/m0/s1