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

Systemtic Name: ethyl 2-[2-(3-methyl-4-nitro-phenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-methyl-4-nitro-benzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-methyl-4-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-methyl-4-nitrobenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-methyl-4-nitro-benzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S/c1-3-29-21(26)18-14-6-4-5-7-16(14)31-19(18)22-17(24)11-30-20(25)13-8-9-15(23(27)28)12(2)10-13/h8-10H,3-7,11H2,1-2H3,(H,22,24)