ethyl 4-[[3-methyl-4-(phenylsulfonyl)piperazin-1-yl]methyl]-2-oxidanylidene-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-methyl-4-(phenylsulfonyl)piperazin-1-yl]methyl]-2-oxidanylidene-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(benzenesulfonyl)-3-methyl-piperazin-1-yl]methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-(benzenesulfonyl)-3-methyl-1-piperazinyl]methyl]-2-oxo-3-prop-2-enyl-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]methyl]-2-oxo-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[(4-besyl-3-methyl-piperazino)methyl]-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H32N4O5S2 MolecularWeight: 544.68608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CC=C)CN3CCN(C(C3)C)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CC=C)CN3CCN(C(C3)C)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H32N4O5S2/c1-4-12-29-22(23(25(31)35-5-2)24(27-26(29)32)20-11-15-36-18-20)17-28-13-14-30(19(3)16-28)37(33,34)21-9-7-6-8-10-21/h4,6-11,15,18-19,24H,1,5,12-14,16-17H2,2-3H3,(H,27,32)