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

Systemtic Name: butyl 4-[(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(5-chloro-2-ethylsulfanyl-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[[5-chloro-2-(ethylthio)-4-pyrimidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(5-chloro-2-ethylsulfanylpyrimidine-4-carbonyl)amino]benzoate Traditional Name: 4-[[5-chloro-2-(ethylthio)pyrimidine-4-carbonyl]amino]benzoic acid butyl ester Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3S/c1-3-5-10-25-17(24)12-6-8-13(9-7-12)21-16(23)15-14(19)11-20-18(22-15)26-4-2/h6-9,11H,3-5,10H2,1-2H3,(H,21,23)