2-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]pyrrole-1-carboxylic acid

Systemtic Name: 2-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]pyrrole-1-carboxylic acid Openeye Name: 2-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]pyrrole-1-carboxylic acid CAS Name: 2-[7-[(2-methyl-1H-indol-5-yl)amino]-2-thieno[3,2-b]pyridinyl]-1-pyrrolecarboxylic acid IUPAC Name: 2-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]pyrrole-1-carboxylic acid Traditional Name: 2-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]pyrrole-1-carboxylic acid Formula: C21H16N4O2S MolecularWeight: 388.44234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)C=CC(=C2)NC3=C4C(=NC=C3)C=C(S4)C5=CC=CN5C(=O)O

Isomeric SMILES

CC1=CC2=C(N1)C=CC(=C2)NC3=C4C(=NC=C3)C=C(S4)C5=CC=CN5C(=O)O

InChI

InChI=1S/C21H16N4O2S/c1-12-9-13-10-14(4-5-15(13)23-12)24-16-6-7-22-17-11-19(28-20(16)17)18-3-2-8-25(18)21(26)27/h2-11,23H,1H3,(H,22,24)(H,26,27)