O-(3-methoxyphenyl) 2-ethyl-5-(ethylamino)-5-oxidanylidene-2-phenyl-pentanethioate

Systemtic Name: O-(3-methoxyphenyl) 2-ethyl-5-(ethylamino)-5-oxidanylidene-2-phenyl-pentanethioate Openeye Name: O-(3-methoxyphenyl) 2-ethyl-5-(ethylamino)-5-oxo-2-phenyl-pentanethioate CAS Name: 2-ethyl-5-(ethylamino)-5-oxo-2-phenylpentanethioic acid O-(3-methoxyphenyl) ester IUPAC Name: O-(3-methoxyphenyl) 2-ethyl-5-(ethylamino)-5-oxo-2-phenylpentanethioate Traditional Name: 2-ethyl-5-(ethylamino)-5-keto-2-phenyl-pentanethioic acid O-(3-methoxyphenyl) ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)NCC)(C1=CC=CC=C1)C(=S)OC2=CC(=CC=C2)OC

Isomeric SMILES

CCC(CCC(=O)NCC)(C1=CC=CC=C1)C(=S)OC2=CC(=CC=C2)OC

InChI

InChI=1S/C22H27NO3S/c1-4-22(15-14-20(24)23-5-2,17-10-7-6-8-11-17)21(27)26-19-13-9-12-18(16-19)25-3/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,24)