ethanedioic acid; 2-(1H-indol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine

Systemtic Name: ethanedioic acid; 2-(1H-indol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine Openeye Name: 2-(1H-indol-3-yl)-N-(3-thienylmethyl)ethanamine; oxalic acid CAS Name: 2-(1H-indol-3-yl)-N-(3-thiophenylmethyl)ethanamine; oxalic acid IUPAC Name: 2-(1H-indol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine; oxalic acid Traditional Name: 2-(1H-indol-3-yl)ethyl-(3-thenyl)amine; oxalic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNCC3=CSC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNCC3=CSC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H16N2S.C2H2O4/c1-2-4-15-14(3-1)13(10-17-15)5-7-16-9-12-6-8-18-11-12;3-1(4)2(5)6/h1-4,6,8,10-11,16-17H,5,7,9H2;(H,3,4)(H,5,6)