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

Systemtic Name: ethyl 4-[(5-chloranyl-2-propylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(5-chloro-2-propylsulfanyl-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[[5-chloro-2-(propylthio)-4-pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-chloro-2-propylsulfanylpyrimidine-4-carbonyl)amino]benzoate Traditional Name: 4-[[5-chloro-2-(propylthio)pyrimidine-4-carbonyl]amino]benzoic acid ethyl ester Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=O)OCC)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=O)OCC)Cl

InChI

InChI=1S/C17H18ClN3O3S/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/h5-8,10H,3-4,9H2,1-2H3,(H,20,22)