methyl 4-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoate Openeye Name: methyl 4-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzoate CAS Name: 4-[[2-(cyclopentylamino)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-nitrobenzoate Traditional Name: 4-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-3-nitro-benzoic acid methyl ester Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SCC(=O)NC2CCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SCC(=O)NC2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O5S/c1-22-15(19)10-6-7-13(12(8-10)17(20)21)23-9-14(18)16-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,18)