(2S)-4-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-4-oxidanylidene-2-phenyl-butanoate

Systemtic Name: (2S)-4-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-4-oxidanylidene-2-phenyl-butanoate Openeye Name: (2S)-4-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-4-oxo-2-phenyl-butanoate CAS Name: (2S)-4-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-4-oxo-2-phenylbutanoate IUPAC Name: (2S)-4-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-4-oxo-2-phenylbutanoate Traditional Name: (2S)-4-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-4-keto-2-phenyl-butyrate Formula: C17H15N2O3S- MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CC(C2=CC=CC=C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C[C@@H](C2=CC=CC=C2)C(=O)[O-])C

InChI

InChI=1S/C17H16N2O3S/c1-10-11(2)23-16(14(10)9-18)19-15(20)8-13(17(21)22)12-6-4-3-5-7-12/h3-7,13H,8H2,1-2H3,(H,19,20)(H,21,22)/p-1/t13-/m0/s1