propan-2-yl 2-[2-(2-nitrophenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S/c1-12(2)30-21(26)18-14-8-4-6-10-16(14)31-19(18)22-17(24)11-29-20(25)13-7-3-5-9-15(13)23(27)28/h3,5,7,9,12H,4,6,8,10-11H2,1-2H3,(H,22,24)