4-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]carbonylpiperazine-1-carboxylic acid

Systemtic Name: 4-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]carbonylpiperazine-1-carboxylic acid Openeye Name: 4-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperazine-1-carboxylic acid CAS Name: 4-[[7-[(2-methyl-1H-indol-5-yl)amino]-2-thieno[3,2-b]pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperazine-1-carboxylic acid Traditional Name: 4-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperazine-1-carboxylic acid Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)C=CC(=C2)NC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCN(CC5)C(=O)O

Isomeric SMILES

CC1=CC2=C(N1)C=CC(=C2)NC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCN(CC5)C(=O)O

InChI

InChI=1S/C22H21N5O3S/c1-13-10-14-11-15(2-3-16(14)24-13)25-17-4-5-23-18-12-19(31-20(17)18)21(28)26-6-8-27(9-7-26)22(29)30/h2-5,10-12,24H,6-9H2,1H3,(H,23,25)(H,29,30)