ethyl 4-(5-butylthiophen-2-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(5-butylthiophen-2-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(5-butyl-2-thienyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(5-butyl-2-thiophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-butylthiophen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(5-butyl-2-thienyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(S1)C2C(=C(NC(=O)N2)C)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(S1)C2C(=C(NC(=O)N2)C)C(=O)OCC

InChI

InChI=1S/C16H22N2O3S/c1-4-6-7-11-8-9-12(22-11)14-13(15(19)21-5-2)10(3)17-16(20)18-14/h8-9,14H,4-7H2,1-3H3,(H2,17,18,20)