ethyl 2-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(1-isobutyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[[4,5-dimethyl-1-(2-methylpropyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[(1-isobutyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H29N3O3S2 MolecularWeight: 423.59256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=NC(=C(N2CC(C)C)C)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=NC(=C(N2CC(C)C)C)C)C(=O)OCC

InChI

InChI=1S/C20H29N3O3S2/c1-7-15-9-16(19(25)26-8-2)18(28-15)22-17(24)11-27-20-21-13(5)14(6)23(20)10-12(3)4/h9,12H,7-8,10-11H2,1-6H3,(H,22,24)