[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C17H19N3O3S/c1-12-8-13(2)20-17(19-12)24-11-16(22)23-10-15(21)18-9-14-6-4-3-5-7-14/h3-8H,9-11H2,1-2H3,(H,18,21)