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

Systemtic Name: ethyl 4-[(5-chloranyl-2-propan-2-ylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(5-chloro-2-isopropylsulfanyl-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[[5-chloro-2-(propan-2-ylthio)-4-pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-chloro-2-propan-2-ylsulfanylpyrimidine-4-carbonyl)amino]benzoate Traditional Name: 4-[[5-chloro-2-(isopropylthio)pyrimidine-4-carbonyl]amino]benzoic acid ethyl ester Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O3S/c1-4-24-16(23)11-5-7-12(8-6-11)20-15(22)14-13(18)9-19-17(21-14)25-10(2)3/h5-10H,4H2,1-3H3,(H,20,22)