(E)-N,N-dimethyl-3-(3-phenyl-1-benzothiophen-2-yl)prop-2-en-1-amine; ethanedioic acid

Systemtic Name: (E)-N,N-dimethyl-3-(3-phenyl-1-benzothiophen-2-yl)prop-2-en-1-amine; ethanedioic acid Openeye Name: (E)-N,N-dimethyl-3-(3-phenylbenzothiophen-2-yl)prop-2-en-1-amine; oxalic acid CAS Name: (E)-N,N-dimethyl-3-(3-phenyl-1-benzothiophen-2-yl)-2-propen-1-amine; oxalic acid IUPAC Name: (E)-N,N-dimethyl-3-(3-phenyl-1-benzothiophen-2-yl)prop-2-en-1-amine; oxalic acid Traditional Name: dimethyl-[(E)-3-(3-phenylbenzothiophen-2-yl)allyl]amine; oxalic acid Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC=CC1=C(C2=CC=CC=C2S1)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)C/C=C/C1=C(C2=CC=CC=C2S1)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H19NS.C2H2O4/c1-20(2)14-8-13-18-19(15-9-4-3-5-10-15)16-11-6-7-12-17(16)21-18;3-1(4)2(5)6/h3-13H,14H2,1-2H3;(H,3,4)(H,5,6)/b13-8+;