S-(3,3-diphenylpropyl) 2-[(3,3-dimethyl-2-oxidanylidene-pentanoyl)-propyl-amino]ethanethioate

Systemtic Name: S-(3,3-diphenylpropyl) 2-[(3,3-dimethyl-2-oxidanylidene-pentanoyl)-propyl-amino]ethanethioate Openeye Name: S-(3,3-diphenylpropyl) 2-[(3,3-dimethyl-2-oxo-pentanoyl)-propyl-amino]ethanethioate CAS Name: 2-[(3,3-dimethyl-1,2-dioxopentyl)-propylamino]ethanethioic acid S-(3,3-diphenylpropyl) ester IUPAC Name: S-(3,3-diphenylpropyl) 2-[(3,3-dimethyl-2-oxopentanoyl)-propylamino]ethanethioate Traditional Name: 2-[(2-keto-3,3-dimethyl-pentanoyl)-propyl-amino]ethanethioic acid S-(3,3-diphenylpropyl) ester Formula: C27H35NO3S MolecularWeight: 453.6367

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)SCCC(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)C(=O)C(C)(C)CC

Isomeric SMILES

CCCN(CC(=O)SCCC(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)C(=O)C(C)(C)CC

InChI

InChI=1S/C27H35NO3S/c1-5-18-28(26(31)25(30)27(3,4)6-2)20-24(29)32-19-17-23(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23H,5-6,17-20H2,1-4H3