ethyl 4-[5-(2-chloranylcyclohexen-1-yl)oxolan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[5-(2-chloranylcyclohexen-1-yl)oxolan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[5-(2-chlorocyclohexen-1-yl)tetrahydrofuran-2-yl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[5-(2-chloro-1-cyclohexenyl)-2-oxolanyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(2-chlorocyclohexen-1-yl)oxolan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[5-(2-chlorocyclohexen-1-yl)tetrahydrofuran-2-yl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H25ClN2O3S MolecularWeight: 384.9207

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2CCC(O2)C3=C(CCCC3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2CCC(O2)C3=C(CCCC3)Cl)C

InChI

InChI=1S/C18H25ClN2O3S/c1-3-23-17(22)15-10(2)20-18(25)21-16(15)14-9-8-13(24-14)11-6-4-5-7-12(11)19/h13-14,16H,3-9H2,1-2H3,(H2,20,21,25)