ethyl (4S)-4-(3-ethoxy-4-prop-2-ynoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(3-ethoxy-4-prop-2-ynoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(3-ethoxy-4-prop-2-ynoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-ethoxy-4-prop-2-ynoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(3-ethoxy-4-prop-2-ynoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3-ethoxy-4-propargyloxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O4S/c1-4-14-30-18-13-12-17(15-19(18)28-5-2)22-20(23(27)29-6-3)21(25-24(31)26-22)16-10-8-7-9-11-16/h1,7-13,15,22H,5-6,14H2,2-3H3,(H2,25,26,31)/t22-/m0/s1