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

Systemtic Name: 4-thiophen-3-ylbutyl 4-(acetyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 4-(3-thienyl)butyl 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 4-(3-thiophenyl)butyl ester IUPAC Name: 4-thiophen-3-ylbutyl 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 4-(3-thienyl)butyl ester Formula: C17H22N2O4S2 MolecularWeight: 382.49758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)COC(=O)C)C(=O)OCCCCC2=CSC=C2

Isomeric SMILES

CC1=C(C(NC(=S)N1)COC(=O)C)C(=O)OCCCCC2=CSC=C2

InChI

InChI=1S/C17H22N2O4S2/c1-11-15(14(9-23-12(2)20)19-17(24)18-11)16(21)22-7-4-3-5-13-6-8-25-10-13/h6,8,10,14H,3-5,7,9H2,1-2H3,(H2,18,19,24)