ethyl 3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C18H23N2O3S2+ MolecularWeight: 379.51682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C[NH+]2CCCC2C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C[NH+]2CCC[C@H]2C3=CC=CS3)C

InChI

InChI=1S/C18H22N2O3S2/c1-3-23-18(22)17-12(2)10-16(25-17)19-15(21)11-20-8-4-6-13(20)14-7-5-9-24-14/h5,7,9-10,13H,3-4,6,8,11H2,1-2H3,(H,19,21)/p+1/t13-/m0/s1