[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H17BrN2O3S/c17-12-3-5-13(6-4-12)23-10-15(21)22-9-14(20)19-16(11-18)7-1-2-8-16/h3-6H,1-2,7-10H2,(H,19,20)