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

Systemtic Name: ethyl (4S)-4-[4-butoxy-3,5-bis(chloranyl)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-butoxy-3,5-dichloro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-butoxy-3,5-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-butoxy-3,5-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-butoxy-3,5-dichloro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22Cl2N2O3S MolecularWeight: 417.34988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C2C(=C(NC(=S)N2)C)C(=O)OCC)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)[C@H]2C(=C(NC(=S)N2)C)C(=O)OCC)Cl

InChI

InChI=1S/C18H22Cl2N2O3S/c1-4-6-7-25-16-12(19)8-11(9-13(16)20)15-14(17(23)24-5-2)10(3)21-18(26)22-15/h8-9,15H,4-7H2,1-3H3,(H2,21,22,26)/t15-/m0/s1