2-methyl-6-[2-[(3R)-3-oxidanylpyrrolidin-1-yl]carbonylthieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-methyl-6-[2-[(3R)-3-oxidanylpyrrolidin-1-yl]carbonylthieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxylic acid Openeye Name: 6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-benzothiophene-3-carboxylic acid CAS Name: 6-[[2-[[(3R)-3-hydroxy-1-pyrrolidinyl]-oxomethyl]-7-thieno[3,2-b]pyridinyl]oxy]-2-methyl-1-benzothiophene-3-carboxylic acid IUPAC Name: 6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxylic acid Traditional Name: 6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-benzothiophene-3-carboxylic acid Formula: C22H18N2O5S2 MolecularWeight: 454.51872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C=C(C=C2)OC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCC(C5)O)C(=O)O

Isomeric SMILES

CC1=C(C2=C(S1)C=C(C=C2)OC3=C4C(=NC=C3)C=C(S4)C(=O)N5CC[C@H](C5)O)C(=O)O

InChI

InChI=1S/C22H18N2O5S2/c1-11-19(22(27)28)14-3-2-13(8-17(14)30-11)29-16-4-6-23-15-9-18(31-20(15)16)21(26)24-7-5-12(25)10-24/h2-4,6,8-9,12,25H,5,7,10H2,1H3,(H,27,28)/t12-/m1/s1