phenethyl (4S)-6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: phenethyl (4S)-6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: phenethyl (4S)-6-methyl-4-(2-propoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S)-6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-methyl-4-(2-propoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid phenethyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C(=C(NC(=S)N2)C)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=CC=C1[C@H]2C(=C(NC(=S)N2)C)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O3S/c1-3-14-27-19-12-8-7-11-18(19)21-20(16(2)24-23(29)25-21)22(26)28-15-13-17-9-5-4-6-10-17/h4-12,21H,3,13-15H2,1-2H3,(H2,24,25,29)/t21-/m0/s1