ethyl (4S)-6-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(4-chlorophenyl)methylthio]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(4-chlorobenzyl)thio]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H21ClN2O3S MolecularWeight: 368.87824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSCC2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSCC2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C17H21ClN2O3S/c1-3-13-15(16(21)23-4-2)14(20-17(22)19-13)10-24-9-11-5-7-12(18)8-6-11/h5-8,13H,3-4,9-10H2,1-2H3,(H2,19,20,22)/t13-/m0/s1