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

Systemtic Name: 2-methoxyethyl (4S)-4-(3-bromanyl-4-ethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (4S)-4-(3-bromo-4-ethoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-bromo-4-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-4-(3-bromo-4-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3-bromo-4-ethoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C17H21BrN2O4S MolecularWeight: 429.32864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCCOC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)OCCOC)Br

InChI

InChI=1S/C17H21BrN2O4S/c1-4-23-13-6-5-11(9-12(13)18)15-14(10(2)19-17(25)20-15)16(21)24-8-7-22-3/h5-6,9,15H,4,7-8H2,1-3H3,(H2,19,20,25)/t15-/m0/s1