ethyl 2-[2-[2-(aminocarbonylamino)-4-methyl-pentanoyl]oxyethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[2-(aminocarbonylamino)-4-methyl-pentanoyl]oxyethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methyl-2-ureido-pentanoyl)oxyacetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[2-(carbamoylamino)-4-methyl-1-oxopentoxy]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-methyl-2-ureido-pentanoyl)oxyacetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)COC(=O)C(CC(C)C)NC(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)COC(=O)C(CC(C)C)NC(=O)N

InChI

InChI=1S/C22H27N3O6S/c1-4-30-20(27)15-11-17(14-8-6-5-7-9-14)32-19(15)25-18(26)12-31-21(28)16(10-13(2)3)24-22(23)29/h5-9,11,13,16H,4,10,12H2,1-3H3,(H,25,26)(H3,23,24,29)