ethyl (4S)-4-(2-chloranyl-5-methoxy-4-oxidanyl-phenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(2-chloranyl-5-methoxy-4-oxidanyl-phenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(2-chloro-4-hydroxy-5-methoxy-phenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-chloro-4-hydroxy-5-methoxyphenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(2-chloro-4-hydroxy-5-methoxyphenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-chloro-4-hydroxy-5-methoxy-phenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC(=C(C=C2Cl)O)OC)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@H](NC(=S)N1)C2=CC(=C(C=C2Cl)O)OC)C(=O)OCC

InChI

InChI=1S/C17H21ClN2O4S/c1-4-6-11-14(16(22)24-5-2)15(20-17(25)19-11)9-7-13(23-3)12(21)8-10(9)18/h7-8,15,21H,4-6H2,1-3H3,(H2,19,20,25)/t15-/m1/s1