5-[[4-[4-[(2S)-butan-2-yl]phenyl]-3-cyano-5-methyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[4-[4-[(2S)-butan-2-yl]phenyl]-3-cyano-5-methyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[3-cyano-5-methyl-4-[4-[(1S)-1-methylpropyl]phenyl]-2-thienyl]amino]-5-oxo-pentanoate CAS Name: 5-[[4-[4-[(2S)-butan-2-yl]phenyl]-3-cyano-5-methyl-2-thiophenyl]amino]-5-oxopentanoate IUPAC Name: 5-[[4-[4-[(2S)-butan-2-yl]phenyl]-3-cyano-5-methylthiophen-2-yl]amino]-5-oxopentanoate Traditional Name: 5-[[3-cyano-5-methyl-4-[4-[(1S)-1-methylpropyl]phenyl]-2-thienyl]amino]-5-keto-valerate Formula: C21H23N2O3S- MolecularWeight: 383.48392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)CCCC(=O)[O-])C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)CCCC(=O)[O-])C

InChI

InChI=1S/C21H24N2O3S/c1-4-13(2)15-8-10-16(11-9-15)20-14(3)27-21(17(20)12-22)23-18(24)6-5-7-19(25)26/h8-11,13H,4-7H2,1-3H3,(H,23,24)(H,25,26)/p-1/t13-/m0/s1