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

Systemtic Name: 1,2-dimethyl-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxy-indole-3-carboxylic acid Openeye Name: 1,2-dimethyl-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxy-indole-3-carboxylic acid CAS Name: 1,2-dimethyl-6-[[2-(1-oxopropyl)-7-thieno[3,2-b]pyridinyl]oxy]-3-indolecarboxylic acid IUPAC Name: 1,2-dimethyl-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxylic acid Traditional Name: 1,2-dimethyl-6-(2-propionylthieno[3,2-b]pyridin-7-yl)oxy-indole-3-carboxylic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=NC=CC(=C2S1)OC3=CC4=C(C=C3)C(=C(N4C)C)C(=O)O

Isomeric SMILES

CCC(=O)C1=CC2=NC=CC(=C2S1)OC3=CC4=C(C=C3)C(=C(N4C)C)C(=O)O

InChI

InChI=1S/C21H18N2O4S/c1-4-16(24)18-10-14-20(28-18)17(7-8-22-14)27-12-5-6-13-15(9-12)23(3)11(2)19(13)21(25)26/h5-10H,4H2,1-3H3,(H,25,26)