ethyl 3-[4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl(methylsulfonyl)amino]benzoate

Systemtic Name: ethyl 3-[4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl(methylsulfonyl)amino]benzoate Openeye Name: ethyl 3-[4,5-dihydrobenzo[g]benzothiophene-2-carbonyl(methylsulfonyl)amino]benzoate CAS Name: 3-[[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]-methylsulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl(methylsulfonyl)amino]benzoate Traditional Name: 3-[4,5-dihydrobenzo[g]benzothiophene-2-carbonyl(mesyl)amino]benzoic acid ethyl ester Formula: C23H21NO5S2 MolecularWeight: 455.54654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3)S(=O)(=O)C

InChI

InChI=1S/C23H21NO5S2/c1-3-29-23(26)17-8-6-9-18(13-17)24(31(2,27)28)22(25)20-14-16-12-11-15-7-4-5-10-19(15)21(16)30-20/h4-10,13-14H,3,11-12H2,1-2H3