3-thiophen-2-ylpropyl 4-(acetyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3-thiophen-2-ylpropyl 4-(acetyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-(2-thienyl)propyl 4-(acetoxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(acetyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-thiophen-2-ylpropyl ester IUPAC Name: 3-thiophen-2-ylpropyl 4-(acetyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(acetoxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(2-thienyl)propyl ester Formula: C16H20N2O4S2 MolecularWeight: 368.471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)COC(=O)C)C(=O)OCCCC2=CC=CS2

Isomeric SMILES

CC1=C(C(NC(=S)N1)COC(=O)C)C(=O)OCCCC2=CC=CS2

InChI

InChI=1S/C16H20N2O4S2/c1-10-14(13(9-22-11(2)19)18-16(23)17-10)15(20)21-7-3-5-12-6-4-8-24-12/h4,6,8,13H,3,5,7,9H2,1-2H3,(H2,17,18,23)