(3E)-3-[(4-methylsulfanylphenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (3E)-3-[(4-methylsulfanylphenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(4-methylsulfanylphenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[[4-(methylthio)phenyl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(4-methylsulfanylphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-9-keto-3-[4-(methylthio)benzylidene]-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C20H15N2O3S- MolecularWeight: 363.4097

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C2CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C20H16N2O3S/c1-26-15-5-2-12(3-6-15)10-13-8-9-22-18(13)21-17-11-14(20(24)25)4-7-16(17)19(22)23/h2-7,10-11H,8-9H2,1H3,(H,24,25)/p-1/b13-10+