2,2-dimethyl-6-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3H-thiopyran-4-one

Systemtic Name: 2,2-dimethyl-6-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3H-thiopyran-4-one Openeye Name: 2,2-dimethyl-6-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-3H-thiopyran-4-one CAS Name: 2,2-dimethyl-6-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-3H-thiopyran-4-one IUPAC Name: 2,2-dimethyl-6-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-3H-thiopyran-4-one Traditional Name: 6-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-2,2-dimethyl-3H-thiopyran-4-one Formula: C15H15NO4S2 MolecularWeight: 337.4139

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C=C(S1)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)C=C(S1)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H15NO4S2/c1-15(2)8-12(17)7-14(22-15)21-9-13(18)10-4-3-5-11(6-10)16(19)20/h3-7H,8-9H2,1-2H3