methyl (4S)-4-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(3-bromo-4-ethoxy-5-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3-bromo-4-ethoxy-5-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H19BrN2O4S MolecularWeight: 415.30206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C2C(=C(NC(=S)N2)C)C(=O)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)[C@H]2C(=C(NC(=S)N2)C)C(=O)OC)OC

InChI

InChI=1S/C16H19BrN2O4S/c1-5-23-14-10(17)6-9(7-11(14)21-3)13-12(15(20)22-4)8(2)18-16(24)19-13/h6-7,13H,5H2,1-4H3,(H2,18,19,24)/t13-/m0/s1