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

Systemtic Name: ethyl 2-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)CCSC4=NC=CN4C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)CCSC4=NC=CN4C

InChI

InChI=1S/C22H23N3O3S2/c1-3-28-21(27)18-16-9-8-14-6-4-5-7-15(14)19(16)30-20(18)24-17(26)10-13-29-22-23-11-12-25(22)2/h4-7,11-12H,3,8-10,13H2,1-2H3,(H,24,26)