[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-hydroxy-3,5-diisopropyl-benzoate CAS Name: 2-hydroxy-3,5-di(propan-2-yl)benzoic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-hydroxy-3,5-di(propan-2-yl)benzoate Traditional Name: 2-hydroxy-3,5-diisopropyl-benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(=O)OC(C)C(=O)NC2=C(C=CS2)C#N)O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(=O)OC(C)C(=O)NC2=C(C=CS2)C#N)O)C(C)C

InChI

InChI=1S/C21H24N2O4S/c1-11(2)15-8-16(12(3)4)18(24)17(9-15)21(26)27-13(5)19(25)23-20-14(10-22)6-7-28-20/h6-9,11-13,24H,1-5H3,(H,23,25)