ethyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: ethyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-(thiophen-2-ylmethyl)azanium Openeye Name: ethyl-[(1S)-2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: ethyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: ethyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(1S)-2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-ethyl-(2-thenyl)ammonium Formula: C18H25N2O3S+ MolecularWeight: 349.4677

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)C(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CC[NH+](CC1=CC=CS1)[C@@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C18H24N2O3S/c1-6-20(10-14-8-7-9-24-14)13(4)17(21)16-11(2)15(12(3)19-16)18(22)23-5/h7-9,13,19H,6,10H2,1-5H3/p+1/t13-/m0/s1