methyl 2-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(1-methyl-2-imidazolyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(1-methylimidazol-2-yl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CN1C=CN=C1SCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C17H21N3O3S2/c1-20-9-8-18-17(20)24-10-7-13(21)19-15-14(16(22)23-2)11-5-3-4-6-12(11)25-15/h8-9H,3-7,10H2,1-2H3,(H,19,21)