ethyl 4-methyl-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 4-methyl-2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 4-methyl-2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-5-phenyl-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(=C1C)C2=CC=CC=C2)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CSC3=NC=CN3C

InChI

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