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

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-(2-methylbutan-2-yl)azanium Openeye Name: 1,1-dimethylpropyl-[2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-thienyl]amino]-2-oxo-ethyl]ammonium CAS Name: [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-thiophenyl]amino]-2-oxoethyl]-(2-methylbutan-2-yl)ammonium IUPAC Name: [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]amino]-2-oxoethyl]-(2-methylbutan-2-yl)azanium Traditional Name: tert-amyl-[2-[[3-carbethoxy-4-(4-methoxyphenyl)-2-thienyl]amino]-2-keto-ethyl]ammonium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)[NH2+]CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C(=O)OCC

Isomeric SMILES

CCC(C)(C)[NH2+]CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C(=O)OCC

InChI

InChI=1S/C21H28N2O4S/c1-6-21(3,4)22-12-17(24)23-19-18(20(25)27-7-2)16(13-28-19)14-8-10-15(26-5)11-9-14/h8-11,13,22H,6-7,12H2,1-5H3,(H,23,24)/p+1