[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)CCSC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)CCSC2=CC=CC=C2)OC

InChI

InChI=1S/C23H27NO6S/c1-16(2)14-29-19-10-9-17(13-20(19)28-3)23(27)30-15-22(26)24-21(25)11-12-31-18-7-5-4-6-8-18/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,24,25,26)