ethyl 3-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-(4-tert-butylphenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-(4-tert-butylphenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-tert-butylphenyl)-3-(1,1-dioxothiolan-3-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-tert-butylphenyl)-3-(1,1-dioxo-3-thiolanyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-tert-butylphenyl)-3-(1,1-dioxothiolan-3-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-tert-butylphenyl)-3-(1,1-diketothiolan-3-yl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C(C)(C)C)C3CCS(=O)(=O)C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C(C)(C)C)C3CCS(=O)(=O)C3)C

InChI

InChI=1S/C22H30N2O5S/c1-6-29-20(25)18-14(2)24(17-11-12-30(27,28)13-17)21(26)23-19(18)15-7-9-16(10-8-15)22(3,4)5/h7-10,17,19H,6,11-13H2,1-5H3,(H,23,26)