[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-bis(2-methylpropyl)azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-bis(2-methylpropyl)azanium Openeye Name: [2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl]-diisobutyl-ammonium CAS Name: [2-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl]-bis(2-methylpropyl)ammonium IUPAC Name: [2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]-bis(2-methylpropyl)azanium Traditional Name: [2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-ethyl]-diisobutyl-ammonium Formula: C23H33N2O3S+ MolecularWeight: 417.58472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3S/c1-6-28-23(27)19-12-20(18-10-8-7-9-11-18)29-22(19)24-21(26)15-25(13-16(2)3)14-17(4)5/h7-12,16-17H,6,13-15H2,1-5H3,(H,24,26)/p+1