ethyl (4S)-4-(4-cyclopentyloxy-3-methoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-cyclopentyloxy-3-methoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-[4-(cyclopentoxy)-3-methoxy-phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-cyclopentyloxy-3-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-cyclopentyloxy-3-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[4-(cyclopentoxy)-3-methoxy-phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OC3CCCC3)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@H]1C2=CC(=C(C=C2)OC3CCCC3)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4S/c1-3-30-24(28)21-22(16-9-5-4-6-10-16)26-25(32)27-23(21)17-13-14-19(20(15-17)29-2)31-18-11-7-8-12-18/h4-6,9-10,13-15,18,23H,3,7-8,11-12H2,1-2H3,(H2,26,27,32)/t23-/m0/s1