ethyl 2-(2-phenylsulfanylpropanoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate

Systemtic Name: ethyl 2-(2-phenylsulfanylpropanoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: ethyl 2-(2-phenylsulfanylpropanoylamino)-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(phenylthio)propyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-phenylsulfanylpropanoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-[2-(phenylthio)propanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid ethyl ester Formula: C24H23NO3S2 MolecularWeight: 437.57432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)C(C)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)C(C)SC4=CC=CC=C4

InChI

InChI=1S/C24H23NO3S2/c1-3-28-24(27)20-19-14-13-16-9-7-8-12-18(16)21(19)30-23(20)25-22(26)15(2)29-17-10-5-4-6-11-17/h4-12,15H,3,13-14H2,1-2H3,(H,25,26)