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

Systemtic Name: ethyl 4-[(4-ethoxycarbonylpiperidin-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-ethoxycarbonyl-1-piperidyl)methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-ethoxycarbonyl-1-piperidinyl)methyl]-2-oxo-3-prop-2-enyl-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-2-oxo-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[(4-carbethoxypiperidino)methyl]-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CSC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CSC=C3)C(=O)OCC

InChI

InChI=1S/C23H31N3O5S/c1-4-10-26-18(14-25-11-7-16(8-12-25)21(27)30-5-2)19(22(28)31-6-3)20(24-23(26)29)17-9-13-32-15-17/h4,9,13,15-16,20H,1,5-8,10-12,14H2,2-3H3,(H,24,29)