[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]-ethyl-ammonium CAS Name: [2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-ethylazanium Traditional Name: benzyl-[2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]-ethyl-ammonium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC

InChI

InChI=1S/C20H26N2O3S/c1-5-22(12-16-10-8-7-9-11-16)13-17(23)21-19-18(20(24)25-6-2)14(3)15(4)26-19/h7-11H,5-6,12-13H2,1-4H3,(H,21,23)/p+1