S-[3-azanyl-3-oxidanylidene-2-(pyridin-3-ylmethyl)propyl] ethanethioate

Systemtic Name: S-[3-azanyl-3-oxidanylidene-2-(pyridin-3-ylmethyl)propyl] ethanethioate Openeye Name: S-[3-amino-3-oxo-2-(3-pyridylmethyl)propyl] ethanethioate CAS Name: ethanethioic acid S-[3-amino-3-oxo-2-(3-pyridinylmethyl)propyl] ester IUPAC Name: S-[3-amino-3-oxo-2-(pyridin-3-ylmethyl)propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-amino-3-keto-2-(3-pyridylmethyl)propyl] ester Formula: C11H14N2O2S MolecularWeight: 238.30606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CN=CC=C1)C(=O)N

Isomeric SMILES

CC(=O)SCC(CC1=CN=CC=C1)C(=O)N

InChI

InChI=1S/C11H14N2O2S/c1-8(14)16-7-10(11(12)15)5-9-3-2-4-13-6-9/h2-4,6,10H,5,7H2,1H3,(H2,12,15)