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

Systemtic Name: ethyl 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C20H21N3O3S2/c1-4-26-19(25)17-15(14-7-5-13(2)6-8-14)11-27-18(17)22-16(24)12-28-20-21-9-10-23(20)3/h5-11H,4,12H2,1-3H3,(H,22,24)