ethyl 4-[(2-methylsulfanyl-4-propyl-pyrimidin-5-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(2-methylsulfanyl-4-propyl-pyrimidin-5-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(2-methylsulfanyl-4-propyl-pyrimidine-5-carbonyl)amino]benzoate CAS Name: 4-[[[2-(methylthio)-4-propyl-5-pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methylsulfanyl-4-propylpyrimidine-5-carbonyl)amino]benzoate Traditional Name: 4-[[2-(methylthio)-4-propyl-pyrimidine-5-carbonyl]amino]benzoic acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC)SC

InChI

InChI=1S/C18H21N3O3S/c1-4-6-15-14(11-19-18(21-15)25-3)16(22)20-13-9-7-12(8-10-13)17(23)24-5-2/h7-11H,4-6H2,1-3H3,(H,20,22)