methyl 4-[5-(diethylcarbamoyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate

Systemtic Name: methyl 4-[5-(diethylcarbamoyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[5-(diethylcarbamoyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoate CAS Name: 4-[5-[diethylamino(oxo)methyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(diethylcarbamoyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Traditional Name: 4-[5-(diethylcarbamoyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C18H23N3O3S/c1-5-21(6-2)16(22)14-11(3)19-18(25)20-15(14)12-7-9-13(10-8-12)17(23)24-4/h7-10,15H,5-6H2,1-4H3,(H2,19,20,25)