methyl 4-(3,4-dimethyl-5-morpholin-4-ylcarbonyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl)benzoate

Systemtic Name: methyl 4-(3,4-dimethyl-5-morpholin-4-ylcarbonyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl)benzoate Openeye Name: methyl 4-[3,4-dimethyl-5-(morpholine-4-carbonyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 4-[3,4-dimethyl-5-[4-morpholinyl(oxo)methyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3,4-dimethyl-5-(morpholine-4-carbonyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 4-[3,4-dimethyl-5-(morpholine-4-carbonyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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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)N3CCOCC3

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)C(=O)OC)C(=O)N3CCOCC3

InChI

InChI=1S/C19H23N3O4S/c1-12-15(17(23)22-8-10-26-11-9-22)16(20-19(27)21(12)2)13-4-6-14(7-5-13)18(24)25-3/h4-7,16H,8-11H2,1-3H3,(H,20,27)