[2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-[[2-methyl-1-(2-thienyl)propyl]amino]-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-keto-2-[[2-methyl-1-(2-thienyl)propyl]amino]ethyl] ester Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC(C2=CC=CS2)C(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC(C2=CC=CS2)C(C)C)OC

InChI

InChI=1S/C20H24N2O7S/c1-5-28-16-10-14(22(25)26)13(9-15(16)27-4)20(24)29-11-18(23)21-19(12(2)3)17-7-6-8-30-17/h6-10,12,19H,5,11H2,1-4H3,(H,21,23)