[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-(cyclopropylcarbonylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-(cyclopropylcarbonylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 2-(cyclopropanecarbonylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(cyclopropanecarbonylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4-phenyl-thiophene-3-carboxylic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-3-11-22-18(24)13(2)27-21(26)17-16(14-7-5-4-6-8-14)12-28-20(17)23-19(25)15-9-10-15/h3-8,12-13,15H,1,9-11H2,2H3,(H,22,24)(H,23,25)/t13-/m1/s1