ethyl 2-(4-methylsulfanyl-3-nitro-phenyl)-3-(oxan-4-yl)propanoate

Systemtic Name: ethyl 2-(4-methylsulfanyl-3-nitro-phenyl)-3-(oxan-4-yl)propanoate Openeye Name: ethyl 2-(4-methylsulfanyl-3-nitro-phenyl)-3-tetrahydropyran-4-yl-propanoate CAS Name: 2-[4-(methylthio)-3-nitrophenyl]-3-(4-oxanyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methylsulfanyl-3-nitrophenyl)-3-(oxan-4-yl)propanoate Traditional Name: 2-[4-(methylthio)-3-nitro-phenyl]-3-tetrahydropyran-4-yl-propionic acid ethyl ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1CCOCC1)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC1CCOCC1)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H23NO5S/c1-3-23-17(19)14(10-12-6-8-22-9-7-12)13-4-5-16(24-2)15(11-13)18(20)21/h4-5,11-12,14H,3,6-10H2,1-2H3