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

Systemtic Name: [2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C23H25N2O3S+ MolecularWeight: 409.5212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O3S/c1-3-28-23(27)21-19(18-12-8-5-9-13-18)16-29-22(21)24-20(26)15-25(2)14-17-10-6-4-7-11-17/h4-13,16H,3,14-15H2,1-2H3,(H,24,26)/p+1