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

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

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OC)SC4=NC=CN4C

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OC)SC4=NC=CN4C

InChI

InChI=1S/C21H21N3O3S2/c1-12(28-21-22-10-11-24(21)2)18(25)23-19-16(20(26)27-3)15-9-8-13-6-4-5-7-14(13)17(15)29-19/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)