ethanedioic acid; 3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1-benzothiophene-5-carbonitrile

Systemtic Name: ethanedioic acid; 3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1-benzothiophene-5-carbonitrile Openeye Name: 3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)benzothiophene-5-carbonitrile; oxalic acid CAS Name: 3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1-benzothiophene-5-carbonitrile; oxalic acid IUPAC Name: 3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1-benzothiophene-5-carbonitrile; oxalic acid Traditional Name: 3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)benzothiophene-5-carbonitrile; oxalic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(=CC1)C2=CSC3=C2C=C(C=C3)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCC(=CC1)C2=CSC3=C2C=C(C=C3)C#N.C(=O)(C(=O)O)O

InChI

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