6-[(3-chloranyl-2,6-diethyl-phenyl)carbamoyl]-1-oxidanylidene-2,3-dihydrothieno[2,3-b]pyridine-5-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2,6-diethyl-phenyl)carbamoyl]-1-oxidanylidene-2,3-dihydrothieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 6-[(3-chloro-2,6-diethyl-phenyl)carbamoyl]-1-oxo-2,3-dihydrothieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 6-[(3-chloro-2,6-diethylanilino)-oxomethyl]-1-oxo-2,3-dihydrothieno[2,3-b]pyridine-5-carboxylic acid IUPAC Name: 6-[(3-chloro-2,6-diethylphenyl)carbamoyl]-1-oxo-2,3-dihydrothieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 6-[(3-chloro-2,6-diethyl-phenyl)carbamoyl]-1-keto-2,3-dihydrothieno[2,3-b]pyridine-5-carboxylic acid Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=NC3=C(CCS3=O)C=C2C(=O)O

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=NC3=C(CCS3=O)C=C2C(=O)O

InChI

InChI=1S/C19H19ClN2O4S/c1-3-10-5-6-14(20)12(4-2)15(10)21-17(23)16-13(19(24)25)9-11-7-8-27(26)18(11)22-16/h5-6,9H,3-4,7-8H2,1-2H3,(H,21,23)(H,24,25)