ethyl 3-butyl-4-methyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-butyl-4-methyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-4-methyl-6-(3-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-4-methyl-2-sulfanylidene-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-4-methyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-4-methyl-6-(3-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H22N2O2S2 MolecularWeight: 338.48808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=S)C2=CSC=C2)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=S)C2=CSC=C2)C(=O)OCC)C

InChI

InChI=1S/C16H22N2O2S2/c1-4-6-8-18-11(3)13(15(19)20-5-2)14(17-16(18)21)12-7-9-22-10-12/h7,9-10,14H,4-6,8H2,1-3H3,(H,17,21)