2-(4-chloranylphenoxy)ethyl-[2-[(3-ethoxycarbonyl-4-thiophen-2-yl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[2-[(3-ethoxycarbonyl-4-thiophen-2-yl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[2-[[3-ethoxycarbonyl-4-(2-thienyl)-2-thienyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[2-[(3-ethoxycarbonyl-4-thiophen-2-yl-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[2-[(3-ethoxycarbonyl-4-thiophen-2-ylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[[3-carbethoxy-4-(2-thienyl)-2-thienyl]amino]-2-keto-ethyl]-[2-(4-chlorophenoxy)ethyl]-methyl-ammonium Formula: C22H24ClN2O4S2+ MolecularWeight: 480.01996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[NH+](C)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[NH+](C)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN2O4S2/c1-3-28-22(27)20-17(18-5-4-12-30-18)14-31-21(20)24-19(26)13-25(2)10-11-29-16-8-6-15(23)7-9-16/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,24,26)/p+1