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

Systemtic Name: methyl 2-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: methyl 2-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[3-[(1-methyl-2-imidazolyl)thio]-1-oxopropyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-[3-[(1-methylimidazol-2-yl)thio]propanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid methyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCC(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)OC

Isomeric SMILES

CN1C=CN=C1SCCC(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)OC

InChI

InChI=1S/C21H21N3O3S2/c1-24-11-10-22-21(24)28-12-9-16(25)23-19-17(20(26)27-2)15-8-7-13-5-3-4-6-14(13)18(15)29-19/h3-6,10-11H,7-9,12H2,1-2H3,(H,23,25)