2-[2-(3-fluorophenyl)sulfanylethyl]-3H-isoindol-1-one; O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate

Systemtic Name: 2-[2-(3-fluorophenyl)sulfanylethyl]-3H-isoindol-1-one; O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate Openeye Name: 2-[2-(3-fluorophenyl)sulfanylethyl]isoindolin-1-one; O1-methyl O4-(4-piperidyl) (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-methyl ester O4-(4-piperidinyl) ester; 2-[2-[(3-fluorophenyl)thio]ethyl]-3H-isoindol-1-one IUPAC Name: 2-[2-(3-fluorophenyl)sulfanylethyl]-3H-isoindol-1-one; 1-O-methyl 4-O-piperidin-4-yl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-methyl ester O4-(4-piperidyl) ester; 2-[2-[(3-fluorophenyl)thio]ethyl]isoindolin-1-one Formula: C26H29FN2O5S MolecularWeight: 500.582263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CCSC3=CC=CC(=C3)F

Isomeric SMILES

COC(=O)/C=C/C(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CCSC3=CC=CC(=C3)F

InChI

InChI=1S/C16H14FNOS.C10H15NO4/c17-13-5-3-6-14(10-13)20-9-8-18-11-12-4-1-2-7-15(12)16(18)19;1-14-9(12)2-3-10(13)15-8-4-6-11-7-5-8/h1-7,10H,8-9,11H2;2-3,8,11H,4-7H2,1H3/b;3-2+