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

Systemtic Name: (phenylmethyl) (4S)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl (4S)-4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C21H22N2O4S/c1-3-26-17-11-15(9-10-16(17)24)19-18(13(2)22-21(28)23-19)20(25)27-12-14-7-5-4-6-8-14/h4-11,19,24H,3,12H2,1-2H3,(H2,22,23,28)/t19-/m0/s1