ethyl 2-[4-(cycloheptylcarbamoyl)-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(cycloheptylcarbamoyl)-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(cycloheptylcarbamoyl)-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[(cycloheptylamino)-oxomethyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(cycloheptylcarbamoyl)-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(cycloheptylcarbamoyl)-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NC2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NC2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O5S/c1-2-25-17(21)12-26-16-10-9-13(11-15(16)20(23)24)18(22)19-14-7-5-3-4-6-8-14/h9-11,14H,2-8,12H2,1H3,(H,19,22)