3-methylbutyl 4-[(2-nitrophenyl)sulfanylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[(2-nitrophenyl)sulfanylamino]benzoate Openeye Name: isopentyl 4-[(2-nitrophenyl)sulfanylamino]benzoate CAS Name: 4-[[(2-nitrophenyl)thio]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[(2-nitrophenyl)sulfanylamino]benzoate Traditional Name: 4-[[(2-nitrophenyl)thio]amino]benzoic acid isoamyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)NSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)NSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4S/c1-13(2)11-12-24-18(21)14-7-9-15(10-8-14)19-25-17-6-4-3-5-16(17)20(22)23/h3-10,13,19H,11-12H2,1-2H3