[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2R,3S)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2R,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: [(1S)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2R,3S)-3-methyl-2-phenylpentanoic acid [(2S)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (2R,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2R,3S)-3-methyl-2-phenyl-valeric acid [(1S)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC[C@H](C)[C@H](C1=CC=CC=C1)C(=O)O[C@@H](C)C(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C20H22N2O3S/c1-4-13(2)17(15-8-6-5-7-9-15)20(24)25-14(3)18(23)22-19-16(12-21)10-11-26-19/h5-11,13-14,17H,4H2,1-3H3,(H,22,23)/t13-,14-,17+/m0/s1