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

Systemtic Name: methyl 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: methyl 2-[3-(p-tolylsulfanyl)propanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-[3-(p-tolylthio)propanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid methyl ester Formula: C24H23NO3S2 MolecularWeight: 437.57432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)OC

InChI

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