[(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-tert-butylphenyl)propanoate

Systemtic Name: [(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-tert-butylphenyl)propanoate Openeye Name: [(1R)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-(4-tert-butylphenyl)propanoate CAS Name: 3-(4-tert-butylphenyl)propanoic acid [(2R)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(4-tert-butylphenyl)propanoate Traditional Name: 3-(4-tert-butylphenyl)propionic acid [(1R)-2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)CCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)CCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H26N2O4S/c1-13(19(26)23-20-16(18(22)25)11-12-28-20)27-17(24)10-7-14-5-8-15(9-6-14)21(2,3)4/h5-6,8-9,11-13H,7,10H2,1-4H3,(H2,22,25)(H,23,26)/t13-/m1/s1