6,6-dimethyl-3-methylsulfanyl-1-(3-nitrophenyl)carbonyl-1,3,3a,5,7,7a-hexahydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-3-methylsulfanyl-1-(3-nitrophenyl)carbonyl-1,3,3a,5,7,7a-hexahydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-methylsulfanyl-1-(3-nitrobenzoyl)-1,3,3a,5,7,7a-hexahydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-(methylthio)-1-[(3-nitrophenyl)-oxomethyl]-1,3,3a,5,7,7a-hexahydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-methylsulfanyl-1-(3-nitrobenzoyl)-1,3,3a,5,7,7a-hexahydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-3-(methylthio)-1-(3-nitrobenzoyl)-1,3,3a,5,7,7a-hexahydroisobenzothiophen-4-one Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C(C(SC2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])SC)C(=O)C1)C

Isomeric SMILES

CC1(CC2C(C(SC2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])SC)C(=O)C1)C

InChI

InChI=1S/C18H21NO4S2/c1-18(2)8-12-14(13(20)9-18)17(24-3)25-16(12)15(21)10-5-4-6-11(7-10)19(22)23/h4-7,12,14,16-17H,8-9H2,1-3H3