[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-[(1R)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-[(1R)-1-thiophen-2-ylethyl]azanium Openeye Name: [(1S)-2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-[(1R)-1-(2-thienyl)ethyl]ammonium CAS Name: [(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(1R)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(1R)-1-thiophen-2-ylethyl]azanium Traditional Name: [(1S)-2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-[(1R)-1-(2-thienyl)ethyl]ammonium Formula: C18H25N2O3S+ MolecularWeight: 349.4677

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH2+]C(C)C2=CC=CS2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)[NH2+][C@H](C)C2=CC=CS2)C

InChI

InChI=1S/C18H24N2O3S/c1-6-23-18(22)15-10(2)16(20-12(15)4)17(21)13(5)19-11(3)14-8-7-9-24-14/h7-9,11,13,19-20H,6H2,1-5H3/p+1/t11-,13+/m1/s1