3-azanyl-2-[(3-chloranyl-4-methyl-phenyl)carbamoyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylic acid

Systemtic Name: 3-azanyl-2-[(3-chloranyl-4-methyl-phenyl)carbamoyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 3-amino-2-[(3-chloro-4-methyl-phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 3-amino-2-[(3-chloro-4-methylanilino)-oxomethyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid IUPAC Name: 3-amino-2-[(3-chloro-4-methylphenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 3-amino-2-[(3-chloro-4-methyl-phenyl)carbamoyl]-6-keto-7H-thieno[2,3-b]pyridine-5-carboxylic acid Formula: C16H12ClN3O4S MolecularWeight: 377.80218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)O)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)O)N)Cl

InChI

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