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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S/c1-12-8-13(2)21-18(20-12)27-11-16(24)26-10-15(23)22-17(25)19-9-14-6-4-3-5-7-14/h3-8H,9-11H2,1-2H3,(H2,19,22,23,25)