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

Systemtic Name: tert-butyl 2-[3,3-di(propanoyloxy)propyl-(2-methanethioyl-3-naphthalen-1-yl-propanoyl)amino]hexanoate Openeye Name: tert-butyl 2-[3,3-di(propanoyloxy)propyl-[2-methanethioyl-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[3,3-bis(1-oxopropoxy)propyl-[2-methanethioyl-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3,3-di(propanoyloxy)propyl-(2-methanethioyl-3-naphthalen-1-ylpropanoyl)amino]hexanoate Traditional Name: 2-[3,3-dipropionyloxypropyl-[2-(1-naphthylmethyl)-3-thioxo-propanoyl]amino]hexanoic acid tert-butyl ester Formula: C33H45NO7S MolecularWeight: 599.7779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45NO7S/c1-7-10-18-27(32(38)41-33(4,5)6)34(20-19-30(39-28(35)8-2)40-29(36)9-3)31(37)25(22-42)21-24-16-13-15-23-14-11-12-17-26(23)24/h11-17,22,25,27,30H,7-10,18-21H2,1-6H3