(E)-3-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[4-(4-phenethylpiperazin-1-yl)benzothiophen-2-yl]prop-2-enoic acid CAS Name: (E)-3-[4-(4-phenethyl-1-piperazinyl)-1-benzothiophen-2-yl]-2-propenoic acid IUPAC Name: (E)-3-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[4-(4-phenethylpiperazino)benzothiophen-2-yl]acrylic acid Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C3=C4C=C(SC4=CC=C3)C=CC(=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C3=C4C=C(SC4=CC=C3)/C=C/C(=O)O

InChI

InChI=1S/C23H24N2O2S/c26-23(27)10-9-19-17-20-21(7-4-8-22(20)28-19)25-15-13-24(14-16-25)12-11-18-5-2-1-3-6-18/h1-10,17H,11-16H2,(H,26,27)/b10-9+