tert-butyl 2-[2,3-diacetyloxypropyl-(2-methanethioyl-3-phenyl-propanoyl)amino]hexanoate

Systemtic Name: tert-butyl 2-[2,3-diacetyloxypropyl-(2-methanethioyl-3-phenyl-propanoyl)amino]hexanoate Openeye Name: tert-butyl 2-[(2-benzyl-3-thioxo-propanoyl)-(2,3-diacetoxypropyl)amino]hexanoate CAS Name: 2-[2,3-diacetyloxypropyl-(2-methanethioyl-1-oxo-3-phenylpropyl)amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-benzyl-3-sulfanylidenepropanoyl)-(2,3-diacetyloxypropyl)amino]hexanoate Traditional Name: 2-[(2-benzyl-3-thioxo-propanoyl)-(2,3-diacetoxypropyl)amino]hexanoic acid tert-butyl ester Formula: C27H39NO7S MolecularWeight: 521.66606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)N(CC(COC(=O)C)OC(=O)C)C(=O)C(CC1=CC=CC=C1)C=S

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)N(CC(COC(=O)C)OC(=O)C)C(=O)C(CC1=CC=CC=C1)C=S

InChI

InChI=1S/C27H39NO7S/c1-7-8-14-24(26(32)35-27(4,5)6)28(16-23(34-20(3)30)17-33-19(2)29)25(31)22(18-36)15-21-12-10-9-11-13-21/h9-13,18,22-24H,7-8,14-17H2,1-6H3