methyl 2-[5-(4-fluorophenyl)-4-[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[5-(4-fluorophenyl)-4-[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[5-(4-fluorophenyl)-4-[(3S)-1-(thiophene-2-carbonyl)-3-piperidyl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[5-(4-fluorophenyl)-4-[(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-fluorophenyl)-4-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[5-(4-fluorophenyl)-4-[(3S)-1-(2-thenoyl)-3-piperidyl]pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C23H22FN3O3S2 MolecularWeight: 471.567483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=C(C(=N1)C2CCCN(C2)C(=O)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)CSC1=NC=C(C(=N1)[C@H]2CCCN(C2)C(=O)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FN3O3S2/c1-30-20(28)14-32-23-25-12-18(15-6-8-17(24)9-7-15)21(26-23)16-4-2-10-27(13-16)22(29)19-5-3-11-31-19/h3,5-9,11-12,16H,2,4,10,13-14H2,1H3/t16-/m0/s1