(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-[(4-methoxy-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]acetic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-[(4-methoxy-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-methoxy-3-nitro-benzoyl)amino]acetic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)OCCCC(=O)C2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)OCCCC(=O)C2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7S/c1-26-15-7-6-12(10-13(15)20(24)25)18(23)19-11-17(22)27-8-2-4-14(21)16-5-3-9-28-16/h3,5-7,9-10H,2,4,8,11H2,1H3,(H,19,23)