ethyl 5-chloranyl-2-[2-[(2S)-2-(cyclopropylcarbamoyl)pyrrolidin-1-ium-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-2-[2-[(2S)-2-(cyclopropylcarbamoyl)pyrrolidin-1-ium-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-2-[[2-[(2S)-2-(cyclopropylcarbamoyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-chloro-2-[[2-[(2S)-2-[(cyclopropylamino)-oxomethyl]-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-2-[[2-[(2S)-2-(cyclopropylcarbamoyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-chloro-2-[[2-[(2S)-2-(cyclopropylcarbamoyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H27ClN3O4S+ MolecularWeight: 476.99618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)C[NH+]3CCCC3C(=O)NC4CC4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)C[NH+]3CCC[C@H]3C(=O)NC4CC4

InChI

InChI=1S/C23H26ClN3O4S/c1-2-31-23(30)19-18(14-7-4-3-5-8-14)20(24)32-22(19)26-17(28)13-27-12-6-9-16(27)21(29)25-15-10-11-15/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H,25,29)(H,26,28)/p+1/t16-/m0/s1