ethyl 2-[2-(4-methoxy-3-nitro-phenyl)carbonyloxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-methoxy-3-nitro-phenyl)carbonyloxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-methoxy-3-nitro-benzoyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-methoxy-3-nitrophenyl)-oxomethoxy]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methoxy-3-nitrobenzoyl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-methoxy-3-nitro-benzoyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H24N2O8S MolecularWeight: 476.49956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O8S/c1-4-31-22(27)18-14-7-5-6-8-17(14)33-20(18)23-19(25)12(2)32-21(26)13-9-10-16(30-3)15(11-13)24(28)29/h9-12H,4-8H2,1-3H3,(H,23,25)