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

Systemtic Name: [2-[(5-ethanoyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[(5-acetyl-3-carbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-methyl-p-anisyl-ammonium Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-6-28-21(26)18-13(2)19(14(3)24)29-20(18)22-17(25)12-23(4)11-15-7-9-16(27-5)10-8-15/h7-10H,6,11-12H2,1-5H3,(H,22,25)/p+1