2-[2-[(4R)-6-methyl-5-[(phenylmethyl)carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanoate

Systemtic Name: 2-[2-[(4R)-6-methyl-5-[(phenylmethyl)carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanoate Openeye Name: 2-[2-[(4R)-5-(benzylcarbamoyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate CAS Name: 2-[2-[(4R)-6-methyl-5-[oxo-[(phenylmethyl)amino]methyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate IUPAC Name: 2-[2-[(4R)-5-(benzylcarbamoyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate Traditional Name: 2-[2-[(4R)-5-(benzylcarbamoyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate Formula: C21H20N3O4S- MolecularWeight: 410.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=CC=C2OCC(=O)[O-])C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC=CC=C2OCC(=O)[O-])C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-13-18(20(27)22-11-14-7-3-2-4-8-14)19(24-21(29)23-13)15-9-5-6-10-16(15)28-12-17(25)26/h2-10,19H,11-12H2,1H3,(H,22,27)(H,25,26)(H2,23,24,29)/p-1/t19-/m1/s1