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

Systemtic Name: ethyl 2-(3-phenylsulfanylpropanoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: ethyl 2-(3-phenylsulfanylpropanoylamino)-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-(phenylthio)propyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-phenylsulfanylpropanoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-[3-(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)CCSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C24H23NO3S2/c1-2-28-24(27)21-19-13-12-16-8-6-7-11-18(16)22(19)30-23(21)25-20(26)14-15-29-17-9-4-3-5-10-17/h3-11H,2,12-15H2,1H3,(H,25,26)