4-(4,4-dicyclopropyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)thiophene-2-carbonitrile

Systemtic Name: 4-(4,4-dicyclopropyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)thiophene-2-carbonitrile Openeye Name: 4-(4,4-dicyclopropyl-2-oxo-1H-3,1-benzoxazin-6-yl)thiophene-2-carbonitrile CAS Name: 4-(4,4-dicyclopropyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-thiophenecarbonitrile IUPAC Name: 4-(4,4-dicyclopropyl-2-oxo-1H-3,1-benzoxazin-6-yl)thiophene-2-carbonitrile Traditional Name: 4-(4,4-dicyclopropyl-2-keto-1H-3,1-benzoxazin-6-yl)thiophene-2-carbonitrile Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2(C3=C(C=CC(=C3)C4=CSC(=C4)C#N)NC(=O)O2)C5CC5

Isomeric SMILES

C1CC1C2(C3=C(C=CC(=C3)C4=CSC(=C4)C#N)NC(=O)O2)C5CC5

InChI

InChI=1S/C19H16N2O2S/c20-9-15-7-12(10-24-15)11-1-6-17-16(8-11)19(13-2-3-13,14-4-5-14)23-18(22)21-17/h1,6-8,10,13-14H,2-5H2,(H,21,22)