5-[[2-(azetidin-1-ylcarbonyl)thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-indole-1-carboxylic acid

Systemtic Name: 5-[[2-(azetidin-1-ylcarbonyl)thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-indole-1-carboxylic acid Openeye Name: 5-[[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-indole-1-carboxylic acid CAS Name: 5-[[2-[1-azetidinyl(oxo)methyl]-7-thieno[3,2-b]pyridinyl]amino]-2-methyl-1-indolecarboxylic acid IUPAC Name: 5-[[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxylic acid Traditional Name: 5-[[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-indole-1-carboxylic acid Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1C(=O)O)C=CC(=C2)NC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCC5

Isomeric SMILES

CC1=CC2=C(N1C(=O)O)C=CC(=C2)NC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCC5

InChI

InChI=1S/C21H18N4O3S/c1-12-9-13-10-14(3-4-17(13)25(12)21(27)28)23-15-5-6-22-16-11-18(29-19(15)16)20(26)24-7-2-8-24/h3-6,9-11H,2,7-8H2,1H3,(H,22,23)(H,27,28)