ethyl 4-[[4-(pyrimidin-2-ylsulfanylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-(pyrimidin-2-ylsulfanylmethyl)phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(pyrimidin-2-ylsulfanylmethyl)benzoyl]amino]benzoate CAS Name: 4-[[oxo-[4-[(2-pyrimidinylthio)methyl]phenyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(pyrimidin-2-ylsulfanylmethyl)benzoyl]amino]benzoate Traditional Name: 4-[[4-[(2-pyrimidylthio)methyl]benzoyl]amino]benzoic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=CC=N3

InChI

InChI=1S/C21H19N3O3S/c1-2-27-20(26)17-8-10-18(11-9-17)24-19(25)16-6-4-15(5-7-16)14-28-21-22-12-3-13-23-21/h3-13H,2,14H2,1H3,(H,24,25)