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

Systemtic Name: ethyl 4-methyl-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-4-methyl-2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 4-methyl-2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-5-(phenylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C21H22N4O4S2/c1-4-29-20(28)16-13(2)17(18(27)23-14-8-6-5-7-9-14)31-19(16)24-15(26)12-30-21-22-10-11-25(21)3/h5-11H,4,12H2,1-3H3,(H,23,27)(H,24,26)