5-(2-oxidanylidenespiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)thiophene-2-carbonitrile

Systemtic Name: 5-(2-oxidanylidenespiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)thiophene-2-carbonitrile Openeye Name: 5-(2-oxospiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)thiophene-2-carbonitrile CAS Name: 5-(2-oxo-6-spiro[1H-3,1-benzoxazine-4,1'-cyclohexane]yl)-2-thiophenecarbonitrile IUPAC Name: 5-(2-oxospiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)thiophene-2-carbonitrile Traditional Name: 5-(2-ketospiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)thiophene-2-carbonitrile Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C3=C(C=CC(=C3)C4=CC=C(S4)C#N)NC(=O)O2

Isomeric SMILES

C1CCC2(CC1)C3=C(C=CC(=C3)C4=CC=C(S4)C#N)NC(=O)O2

InChI

InChI=1S/C18H16N2O2S/c19-11-13-5-7-16(23-13)12-4-6-15-14(10-12)18(22-17(21)20-15)8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,20,21)