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

Systemtic Name: ethyl 2-[4-(2-methylpropylcarbamoyl)-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(isobutylcarbamoyl)-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[(2-methylpropylamino)-oxomethyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-methylpropylcarbamoyl)-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(isobutylcarbamoyl)-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5S/c1-4-22-14(18)9-23-13-6-5-11(7-12(13)17(20)21)15(19)16-8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,16,19)