3-azanyl-5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-5-[2-(4-bromophenyl)-2-oxo-ethyl]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-5-[2-(4-bromophenyl)-2-keto-ethyl]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(SC2=NC(=C1CC(=O)C3=CC=C(C=C3)Br)C)C(=O)O)N

Isomeric SMILES

CC1=C2C(=C(SC2=NC(=C1CC(=O)C3=CC=C(C=C3)Br)C)C(=O)O)N

InChI

InChI=1S/C18H15BrN2O3S/c1-8-12(7-13(22)10-3-5-11(19)6-4-10)9(2)21-17-14(8)15(20)16(25-17)18(23)24/h3-6H,7,20H2,1-2H3,(H,23,24)