4-[(2S,3S)-2-methyl-3-oxidanyl-pyrrolidin-1-yl]-1-benzothiophene-7-carbonitrile; sulfuric acid

Systemtic Name: 4-[(2S,3S)-2-methyl-3-oxidanyl-pyrrolidin-1-yl]-1-benzothiophene-7-carbonitrile; sulfuric acid Openeye Name: 4-[(2S,3S)-3-hydroxy-2-methyl-pyrrolidin-1-yl]benzothiophene-7-carbonitrile; sulfuric acid CAS Name: 4-[(2S,3S)-3-hydroxy-2-methyl-1-pyrrolidinyl]-1-benzothiophene-7-carbonitrile; sulfuric acid IUPAC Name: 4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-1-benzothiophene-7-carbonitrile; sulfuric acid Traditional Name: 4-[(2S,3S)-3-hydroxy-2-methyl-pyrrolidino]benzothiophene-7-carbonitrile; sulfuric acid Formula: C14H16N2O5S2 MolecularWeight: 356.41724

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCN1C2=C3C=CSC3=C(C=C2)C#N)O.OS(=O)(=O)O

Isomeric SMILES

C[C@H]1[C@H](CCN1C2=C3C=CSC3=C(C=C2)C#N)O.OS(=O)(=O)O

InChI

InChI=1S/C14H14N2OS.H2O4S/c1-9-13(17)4-6-16(9)12-3-2-10(8-15)14-11(12)5-7-18-14;1-5(2,3)4/h2-3,5,7,9,13,17H,4,6H2,1H3;(H2,1,2,3,4)/t9-,13-;/m0./s1