ethyl 2-[4-(3-methoxypropylcarbamoyl)-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(3-methoxypropylcarbamoyl)-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(3-methoxypropylcarbamoyl)-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[(3-methoxypropylamino)-oxomethyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-methoxypropylcarbamoyl)-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(3-methoxypropylcarbamoyl)-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O6S/c1-3-23-14(18)10-24-13-6-5-11(9-12(13)17(20)21)15(19)16-7-4-8-22-2/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,19)