furan-2-ylmethyl-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: furan-2-ylmethyl-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 2-furylmethyl-[2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: 2-furanylmethyl-[2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: furan-2-ylmethyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 2-furfuryl-[2-(4-isopropoxycarbonylanilino)-2-keto-ethyl]-(2-thenyl)ammonium Formula: C22H25N2O4S+ MolecularWeight: 413.5099

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3

InChI

InChI=1S/C22H24N2O4S/c1-16(2)28-22(26)17-7-9-18(10-8-17)23-21(25)15-24(13-19-5-3-11-27-19)14-20-6-4-12-29-20/h3-12,16H,13-15H2,1-2H3,(H,23,25)/p+1