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

Systemtic Name: 3-azanyl-2-[(3-chloranyl-2-methyl-phenyl)carbamoyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylate Openeye Name: 3-amino-2-[(3-chloro-2-methyl-phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate CAS Name: 3-amino-2-[(3-chloro-2-methylanilino)-oxomethyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate IUPAC Name: 3-amino-2-[(3-chloro-2-methylphenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-amino-2-[(3-chloro-2-methyl-phenyl)carbamoyl]-6-keto-7H-thieno[2,3-b]pyridine-5-carboxylate Formula: C16H11ClN3O4S- MolecularWeight: 376.79424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)[O-])N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)[O-])N

InChI

InChI=1S/C16H12ClN3O4S/c1-6-9(17)3-2-4-10(6)19-14(22)12-11(18)7-5-8(16(23)24)13(21)20-15(7)25-12/h2-5H,18H2,1H3,(H,19,22)(H,20,21)(H,23,24)/p-1