[2-[(5-ethanoyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(4-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(5-ethanoyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(4-fluorophenyl)methyl]-methyl-azanium Openeye Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-[(4-fluorophenyl)methyl]-methyl-ammonium CAS Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylammonium IUPAC Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium Traditional Name: [2-[(5-acetyl-3-carbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-(4-fluorobenzyl)-methyl-ammonium Formula: C20H24FN2O4S+ MolecularWeight: 407.478963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C[NH+](C)CC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C[NH+](C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C20H23FN2O4S/c1-5-27-20(26)17-12(2)18(13(3)24)28-19(17)22-16(25)11-23(4)10-14-6-8-15(21)9-7-14/h6-9H,5,10-11H2,1-4H3,(H,22,25)/p+1