2-[5-bromanyl-2-methoxy-4-[(4S)-6-methyl-5-[(2-methylphenyl)carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanoate

Systemtic Name: 2-[5-bromanyl-2-methoxy-4-[(4S)-6-methyl-5-[(2-methylphenyl)carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanoate Openeye Name: 2-[5-bromo-2-methoxy-4-[(4S)-6-methyl-5-(o-tolylcarbamoyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate CAS Name: 2-[5-bromo-2-methoxy-4-[(4S)-6-methyl-5-[(2-methylanilino)-oxomethyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate IUPAC Name: 2-[5-bromo-2-methoxy-4-[(4S)-6-methyl-5-[(2-methylphenyl)carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate Traditional Name: 2-[5-bromo-2-methoxy-4-[(4S)-6-methyl-5-(o-tolylcarbamoyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate Formula: C22H21BrN3O5S- MolecularWeight: 519.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C=C3Br)OCC(=O)[O-])OC)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(NC(=S)N[C@@H]2C3=CC(=C(C=C3Br)OCC(=O)[O-])OC)C

InChI

InChI=1S/C22H22BrN3O5S/c1-11-6-4-5-7-15(11)25-21(29)19-12(2)24-22(32)26-20(19)13-8-16(30-3)17(9-14(13)23)31-10-18(27)28/h4-9,20H,10H2,1-3H3,(H,25,29)(H,27,28)(H2,24,26,32)/p-1/t20-/m1/s1