ethyl 2-[(4S)-4-(2-bromophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[(4S)-4-(2-bromophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[(4S)-4-(2-bromophenyl)-6-isopropyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxo-acetate CAS Name: 2-[(4S)-4-(2-bromophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[(4S)-4-(2-bromophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate Traditional Name: 2-[(4S)-4-(2-bromophenyl)-6-isopropyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-keto-acetic acid ethyl ester Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C1=C(NC(=S)NC1C2=CC=CC=C2Br)C(C)C

Isomeric SMILES

CCOC(=O)C(=O)C1=C(NC(=S)N[C@@H]1C2=CC=CC=C2Br)C(C)C

InChI

InChI=1S/C17H19BrN2O3S/c1-4-23-16(22)15(21)12-13(9(2)3)19-17(24)20-14(12)10-7-5-6-8-11(10)18/h5-9,14H,4H2,1-3H3,(H2,19,20,24)/t14-/m1/s1