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

Systemtic Name: 5-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino]-5-oxo-pentanoate CAS Name: 5-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)-2-thiophenyl]amino]-5-oxopentanoate IUPAC Name: 5-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-5-oxopentanoate Traditional Name: 5-[(3-cyano-5-methyl-4-p-cumenyl-2-thienyl)amino]-5-keto-valerate Formula: C20H21N2O3S- MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CCCC(=O)[O-])C#N)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CCCC(=O)[O-])C#N)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C20H22N2O3S/c1-12(2)14-7-9-15(10-8-14)19-13(3)26-20(16(19)11-21)22-17(23)5-4-6-18(24)25/h7-10,12H,4-6H2,1-3H3,(H,22,23)(H,24,25)/p-1