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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: [2-(benzylamino)-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-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-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-(benzylamino)-2-keto-ethyl] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H17N3O4S/c1-12-7-15(22)21-18(14(12)8-19)26-11-17(24)25-10-16(23)20-9-13-5-3-2-4-6-13/h2-7H,9-11H2,1H3,(H,20,23)(H,21,22)