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

Systemtic Name: (3E)-9-oxidanylidene-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-9-oxo-3-(2-thienylmethylene)-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-9-oxo-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-9-oxo-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-9-keto-3-(2-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=CC=CS4

Isomeric SMILES

C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)[O-])/C1=C/C4=CC=CS4

InChI

InChI=1S/C17H12N2O3S/c20-16-13-4-3-11(17(21)22)9-14(13)18-15-10(5-6-19(15)16)8-12-2-1-7-23-12/h1-4,7-9H,5-6H2,(H,21,22)/p-1/b10-8+