[2-oxidanylidene-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-[[(1S)-tetralin-1-yl]amino]ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-keto-2-[[(1S)-tetralin-1-yl]amino]ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](C2=CC=CC=C2C1)NC(=O)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S/c24-20(22-17-7-3-5-13-4-1-2-6-16(13)17)12-28-21(25)19-11-14-10-15(23(26)27)8-9-18(14)29-19/h1-2,4,6,8-11,17H,3,5,7,12H2,(H,22,24)/t17-/m0/s1