ethyl 1-[2-[(3-ethoxycarbonyl-4-thiophen-2-yl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(3-ethoxycarbonyl-4-thiophen-2-yl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[3-ethoxycarbonyl-4-(2-thienyl)-2-thienyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(3-ethoxycarbonyl-4-thiophen-2-yl-2-thiophenyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(3-ethoxycarbonyl-4-thiophen-2-ylthiophen-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[3-carbethoxy-4-(2-thienyl)-2-thienyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H27N2O5S2+ MolecularWeight: 451.57948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OCC

InChI

InChI=1S/C21H26N2O5S2/c1-3-27-20(25)14-7-9-23(10-8-14)12-17(24)22-19-18(21(26)28-4-2)15(13-30-19)16-6-5-11-29-16/h5-6,11,13-14H,3-4,7-10,12H2,1-2H3,(H,22,24)/p+1