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

Systemtic Name: methyl 2-[2-bromanyl-6-methoxy-4-[6-methyl-5-[(phenylmethyl)carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[5-(benzylcarbamoyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-bromo-6-methoxy-phenoxy]acetate CAS Name: 2-[2-bromo-6-methoxy-4-[6-methyl-5-[oxo-[(phenylmethyl)amino]methyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[5-(benzylcarbamoyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-bromo-6-methoxyphenoxy]acetate Traditional Name: 2-[4-[5-(benzylcarbamoyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-bromo-6-methoxy-phenoxy]acetic acid methyl ester Formula: C23H24BrN3O5S MolecularWeight: 534.42276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)Br)OCC(=O)OC)OC)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)Br)OCC(=O)OC)OC)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H24BrN3O5S/c1-13-19(22(29)25-11-14-7-5-4-6-8-14)20(27-23(33)26-13)15-9-16(24)21(17(10-15)30-2)32-12-18(28)31-3/h4-10,20H,11-12H2,1-3H3,(H,25,29)(H2,26,27,33)