(E)-N,N-dimethyl-4-(3-phenyl-1-benzothiophen-2-yl)but-3-en-1-amine; ethanedioic acid

Systemtic Name: (E)-N,N-dimethyl-4-(3-phenyl-1-benzothiophen-2-yl)but-3-en-1-amine; ethanedioic acid Openeye Name: (E)-N,N-dimethyl-4-(3-phenylbenzothiophen-2-yl)but-3-en-1-amine; oxalic acid CAS Name: (E)-N,N-dimethyl-4-(3-phenyl-1-benzothiophen-2-yl)-3-buten-1-amine; oxalic acid IUPAC Name: (E)-N,N-dimethyl-4-(3-phenyl-1-benzothiophen-2-yl)but-3-en-1-amine; oxalic acid Traditional Name: dimethyl-[(E)-4-(3-phenylbenzothiophen-2-yl)but-3-enyl]amine; oxalic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NS.C2H2O4/c1-21(2)15-9-8-14-19-20(16-10-4-3-5-11-16)17-12-6-7-13-18(17)22-19;3-1(4)2(5)6/h3-8,10-14H,9,15H2,1-2H3;(H,3,4)(H,5,6)/b14-8+;