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

Systemtic Name: ethyl 4-[(2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(2-methylsulfanyl-4-phenyl-pyrimidine-5-carbonyl)amino]benzoate CAS Name: 4-[[[2-(methylthio)-4-phenyl-5-pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methylsulfanyl-4-phenylpyrimidine-5-carbonyl)amino]benzoate Traditional Name: 4-[[2-(methylthio)-4-phenyl-pyrimidine-5-carbonyl]amino]benzoic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

InChI

InChI=1S/C21H19N3O3S/c1-3-27-20(26)15-9-11-16(12-10-15)23-19(25)17-13-22-21(28-2)24-18(17)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,23,25)