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

Systemtic Name: ethyl 2-[2-(4-chloranyl-3-nitro-phenyl)carbonyloxyethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-chloro-3-nitro-benzoyl)oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-chloro-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-chloro-3-nitrobenzoyl)oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-chloro-3-nitro-benzoyl)oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H21ClN2O7S MolecularWeight: 480.91864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O7S/c1-3-30-21(27)18-13-6-4-11(2)8-16(13)32-19(18)23-17(25)10-31-20(26)12-5-7-14(22)15(9-12)24(28)29/h5,7,9,11H,3-4,6,8,10H2,1-2H3,(H,23,25)