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

Systemtic Name: methyl 2-[(5-chloranyl-2-prop-2-enylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoate Openeye Name: methyl 2-[(2-allylsulfanyl-5-chloro-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 2-[[[5-chloro-2-(prop-2-enylthio)-4-pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-prop-2-enylsulfanylpyrimidine-4-carbonyl)amino]benzoate Traditional Name: 2-[[2-(allylthio)-5-chloro-pyrimidine-4-carbonyl]amino]benzoic acid methyl ester Formula: C16H14ClN3O3S MolecularWeight: 363.81866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=NC(=NC=C2Cl)SCC=C

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=NC(=NC=C2Cl)SCC=C

InChI

InChI=1S/C16H14ClN3O3S/c1-3-8-24-16-18-9-11(17)13(20-16)14(21)19-12-7-5-4-6-10(12)15(22)23-2/h3-7,9H,1,8H2,2H3,(H,19,21)