ethyl (2R)-2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-tris(fluoranyl)-2-[(4-methoxyphenyl)carbonylamino]propanoate

Systemtic Name: ethyl (2R)-2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-tris(fluoranyl)-2-[(4-methoxyphenyl)carbonylamino]propanoate Openeye Name: ethyl (2R)-2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]propanoate CAS Name: (2R)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[[(4-methoxyphenyl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]propanoate Traditional Name: (2R)-2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(p-anisoylamino)propionic acid ethyl ester Formula: C22H24F3N3O5S MolecularWeight: 499.50327

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24F3N3O5S/c1-3-33-20(31)21(22(23,24)25,27-18(30)12-8-10-13(32-2)11-9-12)28-19-16(17(26)29)14-6-4-5-7-15(14)34-19/h8-11,28H,3-7H2,1-2H3,(H2,26,29)(H,27,30)/t21-/m1/s1