[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-keto-2-[[(1R)-3-methyl-1-phenyl-butyl]amino]ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)NC(CC(C)C)C2=CC=CC=C2)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)N[C@H](CC(C)C)C2=CC=CC=C2)NC(=O)C)C

InChI

InChI=1S/C22H28N2O4S/c1-13(2)11-18(17-9-7-6-8-10-17)24-19(26)12-28-22(27)20-14(3)15(4)29-21(20)23-16(5)25/h6-10,13,18H,11-12H2,1-5H3,(H,23,25)(H,24,26)/t18-/m1/s1