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

Systemtic Name: 2-[2-(3-methoxyphenyl)sulfanylethyl]-3H-isoindol-1-one; O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate Openeye Name: 2-[2-(3-methoxyphenyl)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-methoxyphenyl)thio]ethyl]-3H-isoindol-1-one IUPAC Name: 2-[2-(3-methoxyphenyl)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-methoxyphenyl)thio]ethyl]isoindolin-1-one Formula: C27H32N2O6S MolecularWeight: 512.61778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCCN2CC3=CC=CC=C3C2=O.COC(=O)C=CC(=O)OC1CCNCC1

Isomeric SMILES

COC1=CC(=CC=C1)SCCN2CC3=CC=CC=C3C2=O.COC(=O)/C=C/C(=O)OC1CCNCC1

InChI

InChI=1S/C17H17NO2S.C10H15NO4/c1-20-14-6-4-7-15(11-14)21-10-9-18-12-13-5-2-3-8-16(13)17(18)19;1-14-9(12)2-3-10(13)15-8-4-6-11-7-5-8/h2-8,11H,9-10,12H2,1H3;2-3,8,11H,4-7H2,1H3/b;3-2+