methyl 4-[5-(dimethylcarbamoyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate

Systemtic Name: methyl 4-[5-(dimethylcarbamoyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 4-[5-(dimethylcarbamoyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 4-[5-[dimethylamino(oxo)methyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(dimethylcarbamoyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 4-[5-(dimethylcarbamoyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)C(=O)OC)C(=O)N(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)C(=O)OC)C(=O)N(C)C

InChI

InChI=1S/C17H21N3O3S/c1-10-13(15(21)19(2)3)14(18-17(24)20(10)4)11-6-8-12(9-7-11)16(22)23-5/h6-9,14H,1-5H3,(H,18,24)