6-[2-(azetidin-1-ylcarbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-indole-3-carboxylic acid

Systemtic Name: 6-[2-(azetidin-1-ylcarbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-indole-3-carboxylic acid Openeye Name: 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-indole-3-carboxylic acid CAS Name: 6-[[2-[1-azetidinyl(oxo)methyl]-7-thieno[3,2-b]pyridinyl]oxy]-1,2-dimethyl-3-indolecarboxylic acid IUPAC Name: 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxylic acid Traditional Name: 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-indole-3-carboxylic acid Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C=C(C=C2)OC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCC5)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C)C=C(C=C2)OC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCC5)C(=O)O

InChI

InChI=1S/C22H19N3O4S/c1-12-19(22(27)28)14-5-4-13(10-16(14)24(12)2)29-17-6-7-23-15-11-18(30-20(15)17)21(26)25-8-3-9-25/h4-7,10-11H,3,8-9H2,1-2H3,(H,27,28)