ethanedioic acid; 2-methylspiro[1H-isoindole-3,4'-6,7-dihydro-5H-1-benzothiophene]

Systemtic Name: ethanedioic acid; 2-methylspiro[1H-isoindole-3,4'-6,7-dihydro-5H-1-benzothiophene] Openeye Name: 2'-methylspiro[6,7-dihydro-5H-benzothiophene-4,1'-isoindoline]; oxalic acid CAS Name: 2-methylspiro[1H-isoindole-3,4'-6,7-dihydro-5H-1-benzothiophene]; oxalic acid IUPAC Name: 2-methylspiro[1H-isoindole-3,4'-6,7-dihydro-5H-1-benzothiophene]; oxalic acid Traditional Name: 2'-methylspiro[6,7-dihydro-5H-benzothiophene-4,1'-isoindoline]; oxalic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2C13CCCC4=C3C=CS4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CC2=CC=CC=C2C13CCCC4=C3C=CS4.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17NS.C2H2O4/c1-17-11-12-5-2-3-6-13(12)16(17)9-4-7-15-14(16)8-10-18-15;3-1(4)2(5)6/h2-3,5-6,8,10H,4,7,9,11H2,1H3;(H,3,4)(H,5,6)