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

Systemtic Name: 2-ethylsulfanylethyl (4S)-4-(5-bromanyl-2-methoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-4-(5-bromo-2-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(5-bromo-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-4-(5-bromo-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(5-bromo-2-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C17H21BrN2O4S MolecularWeight: 429.32864

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)Br)OC)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC(=O)N[C@H]1C2=C(C=CC(=C2)Br)OC)C

InChI

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