methyl 4-[6-(2-hydroxyphenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl]benzoate

Systemtic Name: methyl 4-[6-(2-hydroxyphenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl]benzoate Openeye Name: methyl 4-[6-(2-hydroxyphenyl)-4-(2-thienyl)-1,2,5,6-tetrahydropyrimidin-2-yl]benzoate CAS Name: 4-[6-(2-hydroxyphenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(2-hydroxyphenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl]benzoate Traditional Name: 4-[6-(2-hydroxyphenyl)-4-(2-thienyl)-1,2,5,6-tetrahydropyrimidin-2-yl]benzoic acid methyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2NC(CC(=N2)C3=CC=CS3)C4=CC=CC=C4O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2NC(CC(=N2)C3=CC=CS3)C4=CC=CC=C4O

InChI

InChI=1S/C22H20N2O3S/c1-27-22(26)15-10-8-14(9-11-15)21-23-17(16-5-2-3-6-19(16)25)13-18(24-21)20-7-4-12-28-20/h2-12,17,21,23,25H,13H2,1H3