[4-(4-thiophen-2-ylpyrimidin-2-yl)phenyl] 3-methylbenzoate

Systemtic Name: [4-(4-thiophen-2-ylpyrimidin-2-yl)phenyl] 3-methylbenzoate Openeye Name: [4-[4-(2-thienyl)pyrimidin-2-yl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-(4-thiophen-2-yl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(4-thiophen-2-ylpyrimidin-2-yl)phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[4-(2-thienyl)pyrimidin-2-yl]phenyl] ester Formula: C22H16N2O2S MolecularWeight: 372.43964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C3=NC=CC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C3=NC=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H16N2O2S/c1-15-4-2-5-17(14-15)22(25)26-18-9-7-16(8-10-18)21-23-12-11-19(24-21)20-6-3-13-27-20/h2-14H,1H3