3-[4-bromanyl-5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 3-[4-bromanyl-5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 3-[4-bromo-5-(3-methoxyprop-1-ynyl)-2-thienyl]-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 3-[4-bromo-5-(3-methoxyprop-1-ynyl)-2-thiophenyl]-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile IUPAC Name: 3-[4-bromo-5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 3-[4-bromo-5-(3-methoxyprop-1-ynyl)-2-thienyl]-6-hydroxy-4-keto-7H-thieno[2,3-b]pyridine-5-carbonitrile Formula: C16H9BrN2O3S2 MolecularWeight: 421.28826

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CC1=C(C=C(S1)C2=CSC3=C2C(=O)C(=C(N3)O)C#N)Br

Isomeric SMILES

COCC#CC1=C(C=C(S1)C2=CSC3=C2C(=O)C(=C(N3)O)C#N)Br

InChI

InChI=1S/C16H9BrN2O3S2/c1-22-4-2-3-11-10(17)5-12(24-11)9-7-23-16-13(9)14(20)8(6-18)15(21)19-16/h5,7H,4H2,1H3,(H2,19,20,21)