ethyl 2-[[(2R)-2-(3-methylbutylamino)-2-phenyl-ethanoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2R)-2-(3-methylbutylamino)-2-phenyl-ethanoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2R)-2-(isopentylamino)-2-phenyl-acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2R)-2-(3-methylbutylamino)-1-oxo-2-phenylethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2R)-2-(3-methylbutylamino)-2-phenylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2R)-2-(isoamylamino)-2-phenyl-acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)NCCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)[C@@H](C3=CC=CC=C3)NCCC(C)C

InChI

InChI=1S/C26H30N2O3S/c1-4-31-26(30)22-21(19-11-7-5-8-12-19)17-32-25(22)28-24(29)23(27-16-15-18(2)3)20-13-9-6-10-14-20/h5-14,17-18,23,27H,4,15-16H2,1-3H3,(H,28,29)/t23-/m1/s1