ethyl 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=NC=CN2C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=NC=CN2C

InChI

InChI=1S/C17H23N3O3S2/c1-5-23-16(22)14-12(8-11(2)3)9-24-15(14)19-13(21)10-25-17-18-6-7-20(17)4/h6-7,9,11H,5,8,10H2,1-4H3,(H,19,21)