[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)thio]acetic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6-keto-4-methyl-1H-pyridin-2-yl)thio]acetic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC(=O)N2CCCCCCC2

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC(=O)N2CCCCCCC2

InChI

InChI=1S/C18H23N3O4S/c1-13-9-15(22)20-18(14(13)10-19)26-12-17(24)25-11-16(23)21-7-5-3-2-4-6-8-21/h9H,2-8,11-12H2,1H3,(H,20,22)