ethyl (4S)-2-oxidanylidene-4-phenyl-6-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-2-oxidanylidene-4-phenyl-6-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-2-oxo-4-phenyl-6-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-2-oxo-4-phenyl-6-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-oxo-4-phenyl-6-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-phenyl-6-[[4-(2-thienylsulfonyl)piperazino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H26N4O5S2/c1-2-31-21(27)19-17(23-22(28)24-20(19)16-7-4-3-5-8-16)15-25-10-12-26(13-11-25)33(29,30)18-9-6-14-32-18/h3-9,14,20H,2,10-13,15H2,1H3,(H2,23,24,28)/t20-/m0/s1