ethyl 3-(4-nitrophenyl)benzo[g][2]benzothiole-1-carboxylate

Systemtic Name: ethyl 3-(4-nitrophenyl)benzo[g][2]benzothiole-1-carboxylate Openeye Name: ethyl 3-(4-nitrophenyl)benzo[g][2]benzothiole-1-carboxylate CAS Name: 3-(4-nitrophenyl)-1-benzo[g][2]benzothiolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-nitrophenyl)benzo[g][2]benzothiole-1-carboxylate Traditional Name: 3-(4-nitrophenyl)benz[g]isobenzothiophene-1-carboxylic acid ethyl ester Formula: C21H15NO4S MolecularWeight: 377.4131

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(S1)C3=CC=C(C=C3)[N+](=O)[O-])C=CC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1=C2C(=C(S1)C3=CC=C(C=C3)[N+](=O)[O-])C=CC4=CC=CC=C42

InChI

InChI=1S/C21H15NO4S/c1-2-26-21(23)20-18-16-6-4-3-5-13(16)9-12-17(18)19(27-20)14-7-10-15(11-8-14)22(24)25/h3-12H,2H2,1H3