[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate CAS Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate Traditional Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C1=CC2=C(S1)CCCCCC2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1=CC2=C(S1)CCCCCC2

InChI

InChI=1S/C19H26N2O3S/c1-13(2)19(3,12-20)21-17(22)11-24-18(23)16-10-14-8-6-4-5-7-9-15(14)25-16/h10,13H,4-9,11H2,1-3H3,(H,21,22)/t19-/m0/s1