[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylmethylsulfanyl)ethanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylmethylsulfanyl)ethanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 2-(2-thienylmethylsulfanyl)acetate CAS Name: 2-(thiophen-2-ylmethylthio)acetic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate Traditional Name: 2-(2-thenylthio)acetic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CSCC2=CC=CS2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CSCC2=CC=CS2

InChI

InChI=1S/C20H23NO4S2/c1-14(2)10-19(23)21-16-7-5-15(6-8-16)18(22)11-25-20(24)13-26-12-17-4-3-9-27-17/h3-9,14H,10-13H2,1-2H3,(H,21,23)