2,3-dimethyl-6-oxidanyl-5-(3-oxidanylidene-3-thiophen-2-yl-propanoyl)benzenecarbonitrile

Systemtic Name: 2,3-dimethyl-6-oxidanyl-5-(3-oxidanylidene-3-thiophen-2-yl-propanoyl)benzenecarbonitrile Openeye Name: 2-hydroxy-5,6-dimethyl-3-[3-oxo-3-(2-thienyl)propanoyl]benzonitrile CAS Name: 3-(1,3-dioxo-3-thiophen-2-ylpropyl)-2-hydroxy-5,6-dimethylbenzonitrile IUPAC Name: 2-hydroxy-5,6-dimethyl-3-(3-oxo-3-thiophen-2-ylpropanoyl)benzonitrile Traditional Name: 2-hydroxy-3-[3-keto-3-(2-thienyl)propanoyl]-5,6-dimethyl-benzonitrile Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)CC(=O)C2=CC=CS2)O)C#N)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)CC(=O)C2=CC=CS2)O)C#N)C

InChI

InChI=1S/C16H13NO3S/c1-9-6-11(16(20)12(8-17)10(9)2)13(18)7-14(19)15-4-3-5-21-15/h3-6,20H,7H2,1-2H3