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

Systemtic Name: methyl 2-(2-cyclohexylsulfanylpropanoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: methyl 2-(2-cyclohexylsulfanylpropanoylamino)-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[2-(cyclohexylthio)-1-oxopropyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-cyclohexylsulfanylpropanoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-[2-(cyclohexylthio)propanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid methyl ester Formula: C23H27NO3S2 MolecularWeight: 429.59538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OC)SC4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OC)SC4CCCCC4

InChI

InChI=1S/C23H27NO3S2/c1-14(28-16-9-4-3-5-10-16)21(25)24-22-19(23(26)27-2)18-13-12-15-8-6-7-11-17(15)20(18)29-22/h6-8,11,14,16H,3-5,9-10,12-13H2,1-2H3,(H,24,25)