(3E)-9-oxidanylidene-3-(thiophen-3-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (3E)-9-oxidanylidene-3-(thiophen-3-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-9-oxo-3-(3-thienylmethylene)-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-9-oxo-3-(3-thiophenylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-9-oxo-3-(thiophen-3-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-9-keto-3-(3-thenylidene)-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C17H11N2O3S- MolecularWeight: 323.34584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)[O-])C1=CC4=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O3S/c20-16-13-2-1-12(17(21)22)8-14(13)18-15-11(3-5-19(15)16)7-10-4-6-23-9-10/h1-2,4,6-9H,3,5H2,(H,21,22)/p-1/b11-7+