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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)CC(C)CC(=O)[O-])C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C[C@H](C)CC(=O)[O-])C

InChI

InChI=1S/C21H24N2O3S/c1-4-5-15-6-8-16(9-7-15)20-14(3)27-21(17(20)12-22)23-18(24)10-13(2)11-19(25)26/h6-9,13H,4-5,10-11H2,1-3H3,(H,23,24)(H,25,26)/p-1/t13-/m0/s1