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

Systemtic Name: methyl 2-(3-phenylsulfanylpropanoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H21NO3S2 MolecularWeight: 423.54774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO3S2/c1-27-23(26)20-18-12-11-15-7-5-6-10-17(15)21(18)29-22(20)24-19(25)13-14-28-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,24,25)