tert-butyl 2-[(2-methanethioyl-3-naphthalen-1-yl-propanoyl)-(3-methoxy-2-oxidanyl-propyl)amino]hexanoate

Systemtic Name: tert-butyl 2-[(2-methanethioyl-3-naphthalen-1-yl-propanoyl)-(3-methoxy-2-oxidanyl-propyl)amino]hexanoate Openeye Name: tert-butyl 2-[(2-hydroxy-3-methoxy-propyl)-[2-methanethioyl-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[(2-hydroxy-3-methoxypropyl)-[2-methanethioyl-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-hydroxy-3-methoxypropyl)-(2-methanethioyl-3-naphthalen-1-ylpropanoyl)amino]hexanoate Traditional Name: 2-[(2-hydroxy-3-methoxy-propyl)-[2-(1-naphthylmethyl)-3-thioxo-propanoyl]amino]hexanoic acid tert-butyl ester Formula: C28H39NO5S MolecularWeight: 501.67796

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H39NO5S/c1-6-7-15-25(27(32)34-28(2,3)4)29(17-23(30)18-33-5)26(31)22(19-35)16-21-13-10-12-20-11-8-9-14-24(20)21/h8-14,19,22-23,25,30H,6-7,15-18H2,1-5H3