ethyl (4S)-4-[5-chloranyl-2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-[5-chloranyl-2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-[5-chloro-2-(2-ethoxy-2-oxo-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[5-chloro-2-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-[5-chloro-2-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[5-chloro-2-(2-ethoxy-2-keto-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21ClN2O5S MolecularWeight: 412.88774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)Cl)C2C(=C(NC(=S)N2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)Cl)[C@H]2C(=C(NC(=S)N2)C)C(=O)OCC

InChI

InChI=1S/C18H21ClN2O5S/c1-4-24-14(22)9-26-13-7-6-11(19)8-12(13)16-15(17(23)25-5-2)10(3)20-18(27)21-16/h6-8,16H,4-5,9H2,1-3H3,(H2,20,21,27)/t16-/m0/s1