[(1R)-1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(1R)-1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1R)-2-oxo-1,2-bis(p-tolyl)ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1R)-2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO5S/c1-13-3-7-15(8-4-13)19(23)20(16-9-5-14(2)6-10-16)27-21(24)17-11-12-18(28-17)22(25)26/h3-12,20H,1-2H3/t20-/m1/s1