[2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-pyrrolidin-1-ium-2-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl] (2R)-pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-2-pyrrolidin-1-iumcarboxylic acid [2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] (2R)-pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-pyrrolidin-1-ium-2-carboxylic acid [2-[(3-carbethoxy-5-ethyl-4-methyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H25N2O5S+ MolecularWeight: 369.4558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)COC(=O)C2CCC[NH2+]2)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)COC(=O)[C@H]2CCC[NH2+]2)C(=O)OCC)C

InChI

InChI=1S/C17H24N2O5S/c1-4-12-10(3)14(17(22)23-5-2)15(25-12)19-13(20)9-24-16(21)11-7-6-8-18-11/h11,18H,4-9H2,1-3H3,(H,19,20)/p+1/t11-/m1/s1