[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C20H31NO4S MolecularWeight: 381.52944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OCC(=O)NC(C)(C)CC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)OCC(=O)NC(C)(C)CC(C)(C)C

InChI

InChI=1S/C20H31NO4S/c1-7-24-15-8-10-16(11-9-15)26-13-18(23)25-12-17(22)21-20(5,6)14-19(2,3)4/h8-11H,7,12-14H2,1-6H3,(H,21,22)