2-methoxyethyl (4S)-4-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl (4S)-4-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (4S)-4-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C17H21ClN2O5S MolecularWeight: 400.87704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCCOC)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)OCCOC)Cl)O

InChI

InChI=1S/C17H21ClN2O5S/c1-4-24-12-8-10(7-11(18)15(12)21)14-13(9(2)19-17(26)20-14)16(22)25-6-5-23-3/h7-8,14,21H,4-6H2,1-3H3,(H2,19,20,26)/t14-/m0/s1