methyl 2-[4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]sulfanyl-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[(2R)-1-oxo-1-(phenethylamino)propan-2-yl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[(2R)-1-oxo-1-(phenethylamino)propan-2-yl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)SC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C18H21N3O4S/c1-12(17(24)19-9-8-13-6-4-3-5-7-13)26-18-20-14(10-15(22)21-18)11-16(23)25-2/h3-7,10,12H,8-9,11H2,1-2H3,(H,19,24)(H,20,21,22)/t12-/m1/s1