4-bromanyl-3-(carboxymethyloxy)-5-[3-(oxan-4-ylamino)phenyl]thiophene-2-carboxylic acid

Systemtic Name: 4-bromanyl-3-(carboxymethyloxy)-5-[3-(oxan-4-ylamino)phenyl]thiophene-2-carboxylic acid Openeye Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(tetrahydropyran-4-ylamino)phenyl]thiophene-2-carboxylic acid CAS Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(4-oxanylamino)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(oxan-4-ylamino)phenyl]thiophene-2-carboxylic acid Traditional Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(tetrahydropyran-4-ylamino)phenyl]-2-thenoic acid Formula: C18H18BrNO6S MolecularWeight: 456.30762

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1NC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

Isomeric SMILES

C1COCCC1NC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

InChI

InChI=1S/C18H18BrNO6S/c19-14-15(26-9-13(21)22)17(18(23)24)27-16(14)10-2-1-3-12(8-10)20-11-4-6-25-7-5-11/h1-3,8,11,20H,4-7,9H2,(H,21,22)(H,23,24)