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

Systemtic Name: methyl 4-[2-bromanyl-4-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethoxy]-5-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-bromo-4-[2-(4-ethoxycarbonylanilino)-2-oxo-ethoxy]-5-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[2-bromo-4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]-5-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-bromo-4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]-5-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[2-bromo-4-[2-(4-carbethoxyanilino)-2-keto-ethoxy]-5-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C25H26BrN3O7S MolecularWeight: 592.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C(=C2)Br)C3C(=C(NC(=S)N3)C)C(=O)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C(=C2)Br)C3C(=C(NC(=S)N3)C)C(=O)OC)OC

InChI

InChI=1S/C25H26BrN3O7S/c1-5-35-23(31)14-6-8-15(9-7-14)28-20(30)12-36-19-11-17(26)16(10-18(19)33-3)22-21(24(32)34-4)13(2)27-25(37)29-22/h6-11,22H,5,12H2,1-4H3,(H,28,30)(H2,27,29,37)