(3S)-5-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-[[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino]-3-methyl-5-oxo-pentanoic acid CAS Name: (3S)-5-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)-2-thiophenyl]amino]-3-methyl-5-oxopentanoic acid IUPAC Name: (3S)-5-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-3-methyl-5-oxopentanoic acid Traditional Name: (3S)-5-[(3-cyano-5-methyl-4-p-cumenyl-2-thienyl)amino]-5-keto-3-methyl-valeric acid Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CC(C)CC(=O)O)C#N)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C[C@H](C)CC(=O)O)C#N)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H24N2O3S/c1-12(2)15-5-7-16(8-6-15)20-14(4)27-21(17(20)11-22)23-18(24)9-13(3)10-19(25)26/h5-8,12-13H,9-10H2,1-4H3,(H,23,24)(H,25,26)/t13-/m0/s1