(3E)-3-[(5-bromanylthiophen-2-yl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (3E)-3-[(5-bromanylthiophen-2-yl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(5-bromo-2-thienyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(5-bromo-2-thiophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(5-bromothiophen-2-yl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-3-[(5-bromo-2-thienyl)methylene]-9-keto-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C17H10BrN2O3S- MolecularWeight: 402.2419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)[O-])C1=CC4=CC=C(S4)Br

Isomeric SMILES

C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)[O-])/C1=C/C4=CC=C(S4)Br

InChI

InChI=1S/C17H11BrN2O3S/c18-14-4-2-11(24-14)7-9-5-6-20-15(9)19-13-8-10(17(22)23)1-3-12(13)16(20)21/h1-4,7-8H,5-6H2,(H,22,23)/p-1/b9-7+