[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-[methyl(3-thienylmethyl)amino]-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-[methyl(3-thiophenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-keto-2-[methyl(3-thenyl)amino]ethyl] ester Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N(C)CC2=CSC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N(C)CC2=CSC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O7S/c1-4-26-16-7-13(14(20(23)24)8-15(16)25-3)18(22)27-10-17(21)19(2)9-12-5-6-28-11-12/h5-8,11H,4,9-10H2,1-3H3