tert-butyl 3-(2-chloranylpyrimidin-4-yl)sulfanylbenzoate

Systemtic Name: tert-butyl 3-(2-chloranylpyrimidin-4-yl)sulfanylbenzoate Openeye Name: tert-butyl 3-(2-chloropyrimidin-4-yl)sulfanylbenzoate CAS Name: 3-[(2-chloro-4-pyrimidinyl)thio]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-chloropyrimidin-4-yl)sulfanylbenzoate Traditional Name: 3-[(2-chloropyrimidin-4-yl)thio]benzoic acid tert-butyl ester Formula: C15H15ClN2O2S MolecularWeight: 322.8098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CC=C1)SC2=NC(=NC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CC=C1)SC2=NC(=NC=C2)Cl

InChI

InChI=1S/C15H15ClN2O2S/c1-15(2,3)20-13(19)10-5-4-6-11(9-10)21-12-7-8-17-14(16)18-12/h4-9H,1-3H3