S-[[(3R,10S)-2-oxidanylidene-10-(pyridin-3-ylcarbamoyl)azecan-3-yl]methyl] ethanethioate

Systemtic Name: S-[[(3R,10S)-2-oxidanylidene-10-(pyridin-3-ylcarbamoyl)azecan-3-yl]methyl] ethanethioate Openeye Name: S-[[(3R,10S)-2-oxo-10-(3-pyridylcarbamoyl)azecan-3-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[(3R,10S)-2-oxo-10-[oxo-(3-pyridinylamino)methyl]-3-azecanyl]methyl] ester IUPAC Name: S-[[(3R,10S)-2-oxo-10-(pyridin-3-ylcarbamoyl)azecan-3-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[(3R,10S)-2-keto-10-(3-pyridylcarbamoyl)azecan-3-yl]methyl] ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CCCCCCC(NC1=O)C(=O)NC2=CN=CC=C2

Isomeric SMILES

CC(=O)SC[C@@H]1CCCCCC[C@H](NC1=O)C(=O)NC2=CN=CC=C2

InChI

InChI=1S/C18H25N3O3S/c1-13(22)25-12-14-7-4-2-3-5-9-16(21-17(14)23)18(24)20-15-8-6-10-19-11-15/h6,8,10-11,14,16H,2-5,7,9,12H2,1H3,(H,20,24)(H,21,23)/t14-,16-/m0/s1