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

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-(3-methylbutyl)azanium Openeye Name: [2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)-2-thienyl]amino]-2-oxo-ethyl]-isopentyl-ammonium CAS Name: [2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)-2-thiophenyl]amino]-2-oxoethyl]-(3-methylbutyl)ammonium IUPAC Name: [2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]amino]-2-oxoethyl]-(3-methylbutyl)azanium Traditional Name: [2-[[3-carbethoxy-4-(4-fluorophenyl)-2-thienyl]amino]-2-keto-ethyl]-isoamyl-ammonium Formula: C20H26FN2O3S+ MolecularWeight: 393.495443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C[NH2+]CCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C[NH2+]CCC(C)C

InChI

InChI=1S/C20H25FN2O3S/c1-4-26-20(25)18-16(14-5-7-15(21)8-6-14)12-27-19(18)23-17(24)11-22-10-9-13(2)3/h5-8,12-13,22H,4,9-11H2,1-3H3,(H,23,24)/p+1