[3-(5-benzamido-4-ethoxycarbonyl-3-phenyl-thiophen-2-yl)-3-oxidanylidene-propyl]-dimethyl-azanium

Systemtic Name: [3-(5-benzamido-4-ethoxycarbonyl-3-phenyl-thiophen-2-yl)-3-oxidanylidene-propyl]-dimethyl-azanium Openeye Name: [3-(5-benzamido-4-ethoxycarbonyl-3-phenyl-2-thienyl)-3-oxo-propyl]-dimethyl-ammonium CAS Name: [3-(5-benzamido-4-ethoxycarbonyl-3-phenyl-2-thiophenyl)-3-oxopropyl]-dimethylammonium IUPAC Name: [3-(5-benzamido-4-ethoxycarbonyl-3-phenylthiophen-2-yl)-3-oxopropyl]-dimethylazanium Traditional Name: [3-(5-benzamido-4-carbethoxy-3-phenyl-2-thienyl)-3-keto-propyl]-dimethyl-ammonium Formula: C25H27N2O4S+ MolecularWeight: 451.55788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4S/c1-4-31-25(30)21-20(17-11-7-5-8-12-17)22(19(28)15-16-27(2)3)32-24(21)26-23(29)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3,(H,26,29)/p+1