3-azanyl-2-[(2,6-dimethylphenyl)carbamoyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylate

Systemtic Name: 3-azanyl-2-[(2,6-dimethylphenyl)carbamoyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylate Openeye Name: 3-amino-2-[(2,6-dimethylphenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate CAS Name: 3-amino-2-[(2,6-dimethylanilino)-oxomethyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate IUPAC Name: 3-amino-2-[(2,6-dimethylphenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-amino-2-[(2,6-dimethylphenyl)carbamoyl]-6-keto-7H-thieno[2,3-b]pyridine-5-carboxylate Formula: C17H14N3O4S- MolecularWeight: 356.37576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)[O-])N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)[O-])N

InChI

InChI=1S/C17H15N3O4S/c1-7-4-3-5-8(2)12(7)19-15(22)13-11(18)9-6-10(17(23)24)14(21)20-16(9)25-13/h3-6H,18H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/p-1