ethyl 4-methyl-3-(3-methylbutyl)-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-3-(3-methylbutyl)-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-isopentyl-4-methyl-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-3-(3-methylbutyl)-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-(3-methylbutyl)-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-isoamyl-2-keto-4-methyl-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CCC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CCC(C)C)C

InChI

InChI=1S/C17H24N2O3S/c1-5-22-16(20)14-12(4)19(8-6-11(2)3)17(21)18-15(14)13-7-9-23-10-13/h7,9-11,15H,5-6,8H2,1-4H3,(H,18,21)