[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(cyclopropylcarbonylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(cyclopropylcarbonylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 2-(cyclopropanecarbonylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(cyclopropanecarbonylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4-phenyl-thiophene-3-carboxylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CC3

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CC3

InChI

InChI=1S/C22H26N2O4S/c1-13(2)11-23-19(25)14(3)28-22(27)18-17(15-7-5-4-6-8-15)12-29-21(18)24-20(26)16-9-10-16/h4-8,12-14,16H,9-11H2,1-3H3,(H,23,25)(H,24,26)/t14-/m0/s1