4-[3-(carboxymethyl)phenyl]-4,9-dimethyl-10-oxidanylidene-thieno[2,3-b]carbazole-2-carboxylic acid

Systemtic Name: 4-[3-(carboxymethyl)phenyl]-4,9-dimethyl-10-oxidanylidene-thieno[2,3-b]carbazole-2-carboxylic acid Openeye Name: 4-[3-(carboxymethyl)phenyl]-4,9-dimethyl-10-oxo-thieno[2,3-b]carbazole-2-carboxylic acid CAS Name: 4-[3-(carboxymethyl)phenyl]-4,9-dimethyl-10-oxo-2-thieno[2,3-b]carbazolecarboxylic acid IUPAC Name: 4-[3-(carboxymethyl)phenyl]-4,9-dimethyl-10-oxothieno[2,3-b]carbazole-2-carboxylic acid Traditional Name: 4-[3-(carboxymethyl)phenyl]-10-keto-4,9-dimethyl-thieno[2,3-b]carbazole-2-carboxylic acid Formula: C25H19NO5S MolecularWeight: 445.48706

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=O)C3=C1C4=CC=CC=C4N3C)SC(=C2)C(=O)O)C5=CC(=CC=C5)CC(=O)O

Isomeric SMILES

CC1(C2=C(C(=O)C3=C1C4=CC=CC=C4N3C)SC(=C2)C(=O)O)C5=CC(=CC=C5)CC(=O)O

InChI

InChI=1S/C25H19NO5S/c1-25(14-7-5-6-13(10-14)11-19(27)28)16-12-18(24(30)31)32-23(16)22(29)21-20(25)15-8-3-4-9-17(15)26(21)2/h3-10,12H,11H2,1-2H3,(H,27,28)(H,30,31)