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

Systemtic Name: ethyl 6-methyl-2-[2-(2-methyl-3-nitro-phenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-(2-methyl-3-nitro-benzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[2-[(2-methyl-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[[2-(2-methyl-3-nitrobenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[2-(2-methyl-3-nitro-benzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N2O7S/c1-4-30-22(27)19-15-9-8-12(2)10-17(15)32-20(19)23-18(25)11-31-21(26)14-6-5-7-16(13(14)3)24(28)29/h5-7,12H,4,8-11H2,1-3H3,(H,23,25)