ethyl 4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)thiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)thiomorpholine-3-carboxylate Openeye Name: ethyl 4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)thiomorpholine-3-carboxylate CAS Name: 4-[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)thiomorpholine-3-carboxylate Traditional Name: 4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)thiomorpholine-3-carboxylic acid ethyl ester Formula: C20H21NO3S2 MolecularWeight: 387.51564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

CCOC(=O)C1CSCCN1C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C20H21NO3S2/c1-2-24-20(23)16-12-25-10-9-21(16)19(22)17-11-14-8-7-13-5-3-4-6-15(13)18(14)26-17/h3-6,11,16H,2,7-10,12H2,1H3