[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-[[(1R)-1,2-diphenylethyl]amino]-2-keto-ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S/c24-19(14-28-21(25)18-11-12-20(29-18)23(26)27)22-17(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-12,17H,13-14H2,(H,22,24)/t17-/m1/s1