ethanedioic acid; 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1-benzothiophene-7-carbonitrile

Systemtic Name: ethanedioic acid; 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1-benzothiophene-7-carbonitrile Openeye Name: 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)benzothiophene-7-carbonitrile; oxalic acid CAS Name: 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1-benzothiophene-7-carbonitrile; oxalic acid IUPAC Name: 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1-benzothiophene-7-carbonitrile; oxalic acid Traditional Name: 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)benzothiophene-7-carbonitrile; oxalic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(=CC1)C2=CC3=CC=CC(=C3S2)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCC(=CC1)C2=CC3=CC=CC(=C3S2)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H16N2S.C2H2O4/c1-2-18-8-6-12(7-9-18)15-10-13-4-3-5-14(11-17)16(13)19-15;3-1(4)2(5)6/h3-6,10H,2,7-9H2,1H3;(H,3,4)(H,5,6)