[2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [2-[(3-carbethoxy-5-methyl-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C22H25N2O4S+ MolecularWeight: 413.5099

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[NH+](C)CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[NH+](C)CC3=CC=CO3

InChI

InChI=1S/C22H24N2O4S/c1-4-27-22(26)20-19(16-9-6-5-7-10-16)15(2)29-21(20)23-18(25)14-24(3)13-17-11-8-12-28-17/h5-12H,4,13-14H2,1-3H3,(H,23,25)/p+1