ethyl 4-[(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(5-chloro-2-ethylsulfanyl-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[[5-chloro-2-(ethylthio)-4-pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-chloro-2-ethylsulfanylpyrimidine-4-carbonyl)amino]benzoate Traditional Name: 4-[[5-chloro-2-(ethylthio)pyrimidine-4-carbonyl]amino]benzoic acid ethyl ester Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC

InChI

InChI=1S/C16H16ClN3O3S/c1-3-23-15(22)10-5-7-11(8-6-10)19-14(21)13-12(17)9-18-16(20-13)24-4-2/h5-9H,3-4H2,1-2H3,(H,19,21)