[(1S)-1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] thiophene-2-carboxylate

Systemtic Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] thiophene-2-carboxylate Openeye Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(1,1-dimethylpropylamino)-2-oxo-ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [(1S)-1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [(1S)-2-(tert-amylamino)-1-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C(C1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC=CS2

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5S/c1-6-20(2,3)21-18(22)17(26-19(23)16-8-7-11-27-16)13-9-10-14(24-4)15(12-13)25-5/h7-12,17H,6H2,1-5H3,(H,21,22)/t17-/m0/s1