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

Systemtic Name: ethyl 4-[(5-chloranyl-2-prop-2-enylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(2-allylsulfanyl-5-chloro-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[[5-chloro-2-(prop-2-enylthio)-4-pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-chloro-2-prop-2-enylsulfanylpyrimidine-4-carbonyl)amino]benzoate Traditional Name: 4-[[2-(allylthio)-5-chloro-pyrimidine-4-carbonyl]amino]benzoic acid ethyl ester Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O3S/c1-3-9-25-17-19-10-13(18)14(21-17)15(22)20-12-7-5-11(6-8-12)16(23)24-4-2/h3,5-8,10H,1,4,9H2,2H3,(H,20,22)