3-azanyl-2-[(2-ethyl-6-methyl-phenyl)carbamoyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylic acid

Systemtic Name: 3-azanyl-2-[(2-ethyl-6-methyl-phenyl)carbamoyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 3-amino-2-[(2-ethyl-6-methyl-phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 3-amino-2-[(2-ethyl-6-methylanilino)-oxomethyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid IUPAC Name: 3-amino-2-[(2-ethyl-6-methylphenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 3-amino-2-[(2-ethyl-6-methyl-phenyl)carbamoyl]-6-keto-7H-thieno[2,3-b]pyridine-5-carboxylic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)O)N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)O)N)C

InChI

InChI=1S/C18H17N3O4S/c1-3-9-6-4-5-8(2)13(9)20-16(23)14-12(19)10-7-11(18(24)25)15(22)21-17(10)26-14/h4-7H,3,19H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)