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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: [2-(1-ethylpropylamino)-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-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 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-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)CSC1=C(C(=CC(=O)N1)C)C#N

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)CSC1=C(C(=CC(=O)N1)C)C#N

InChI

InChI=1S/C16H21N3O4S/c1-4-11(5-2)18-14(21)8-23-15(22)9-24-16-12(7-17)10(3)6-13(20)19-16/h6,11H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,20)