tert-butyl 2-[2,3-diacetyloxypropyl-(2-methanethioyl-3-naphthalen-1-yl-propanoyl)amino]hexanoate

Systemtic Name: tert-butyl 2-[2,3-diacetyloxypropyl-(2-methanethioyl-3-naphthalen-1-yl-propanoyl)amino]hexanoate Openeye Name: tert-butyl 2-[2,3-diacetoxypropyl-[2-methanethioyl-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[2,3-diacetyloxypropyl-[2-methanethioyl-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2,3-diacetyloxypropyl-(2-methanethioyl-3-naphthalen-1-ylpropanoyl)amino]hexanoate Traditional Name: 2-[2,3-diacetoxypropyl-[2-(1-naphthylmethyl)-3-thioxo-propanoyl]amino]hexanoic acid tert-butyl ester Formula: C31H41NO7S MolecularWeight: 571.72474

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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=CC2=CC=CC=C21)C=S

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)N(CC(COC(=O)C)OC(=O)C)C(=O)C(CC1=CC=CC2=CC=CC=C21)C=S

InChI

InChI=1S/C31H41NO7S/c1-7-8-16-28(30(36)39-31(4,5)6)32(18-26(38-22(3)34)19-37-21(2)33)29(35)25(20-40)17-24-14-11-13-23-12-9-10-15-27(23)24/h9-15,20,25-26,28H,7-8,16-19H2,1-6H3