methyl 2-(2-phenylsulfanylethanoylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 2-(2-phenylsulfanylethanoylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 2-[(2-phenylsulfanylacetyl)amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 2-[[1-oxo-2-(phenylthio)ethyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-phenylsulfanylacetyl)amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 2-[[2-(phenylthio)acetyl]amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C22H19NO3S2 MolecularWeight: 409.52116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1C3=CC=CC=C3CC2)NC(=O)CSC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1C3=CC=CC=C3CC2)NC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C22H19NO3S2/c1-26-22(25)20-19-16-10-6-5-7-14(16)11-12-17(19)28-21(20)23-18(24)13-27-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,23,24)