[(1S)-2-(tert-butylamino)-1-(4-cyanophenyl)-2-oxidanylidene-ethyl] thiophene-2-carboxylate

Systemtic Name: [(1S)-2-(tert-butylamino)-1-(4-cyanophenyl)-2-oxidanylidene-ethyl] thiophene-2-carboxylate Openeye Name: [(1S)-2-(tert-butylamino)-1-(4-cyanophenyl)-2-oxo-ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [(1S)-2-(tert-butylamino)-1-(4-cyanophenyl)-2-oxoethyl] ester IUPAC Name: [(1S)-2-(tert-butylamino)-1-(4-cyanophenyl)-2-oxoethyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [(1S)-2-(tert-butylamino)-1-(4-cyanophenyl)-2-keto-ethyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)C#N)OC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)NC(=O)[C@H](C1=CC=C(C=C1)C#N)OC(=O)C2=CC=CS2

InChI

InChI=1S/C18H18N2O3S/c1-18(2,3)20-16(21)15(13-8-6-12(11-19)7-9-13)23-17(22)14-5-4-10-24-14/h4-10,15H,1-3H3,(H,20,21)/t15-/m0/s1