ethyl 4-[3-bromanyl-5-ethoxy-4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[3-bromanyl-5-ethoxy-4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-bromo-5-ethoxy-4-[2-(2-methylanilino)-2-oxo-ethoxy]phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-bromo-5-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-bromo-5-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-bromo-5-ethoxy-4-[2-keto-2-(o-toluidino)ethoxy]phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H28BrN3O5S MolecularWeight: 562.47592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)Br)OCC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)Br)OCC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C25H28BrN3O5S/c1-5-32-19-12-16(22-21(24(31)33-6-2)15(4)27-25(35)29-22)11-17(26)23(19)34-13-20(30)28-18-10-8-7-9-14(18)3/h7-12,22H,5-6,13H2,1-4H3,(H,28,30)(H2,27,29,35)