(E)-cyclohexyl-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-thiophen-2-yl-methylidene]azanium

Systemtic Name: (E)-cyclohexyl-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-thiophen-2-yl-methylidene]azanium Openeye Name: (E)-cyclohexyl-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-(2-thienyl)methylene]ammonium CAS Name: (E)-cyclohexyl-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-thiophen-2-ylmethylidene]ammonium IUPAC Name: (E)-cyclohexyl-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-thiophen-2-ylmethylidene]azanium Traditional Name: (E)-[[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-(2-thienyl)methylene]-cyclohexyl-ammonium Formula: C22H29N2O2S2+ MolecularWeight: 417.60786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=[NH+]C3CCCCC3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N/C(=[NH+]/C3CCCCC3)/C4=CC=CS4

InChI

InChI=1S/C22H28N2O2S2/c1-2-26-22(25)19-16-11-6-7-12-17(16)28-21(19)24-20(18-13-8-14-27-18)23-15-9-4-3-5-10-15/h8,13-15H,2-7,9-12H2,1H3,(H,23,24)/p+1