2-[(2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-5-oxo-2-(2-thienyl)-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-4-hydroxy-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-2-keto-5-(2-thienyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C18H22N3O3S2+ MolecularWeight: 392.51558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CS3)CC[NH+](C)C)O

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N([C@@H]2C3=CC=CS3)CC[NH+](C)C)O

InChI

InChI=1S/C18H21N3O3S2/c1-10-17(26-11(2)19-10)15(22)13-14(12-6-5-9-25-12)21(8-7-20(3)4)18(24)16(13)23/h5-6,9,14,23H,7-8H2,1-4H3/p+1/t14-/m1/s1