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

Systemtic Name: tert-butyl 2-[(2-ethoxy-3-oxidanyl-propyl)-(2-methanethioyl-3-naphthalen-1-yl-propanoyl)amino]hexanoate Openeye Name: tert-butyl 2-[(2-ethoxy-3-hydroxy-propyl)-[2-methanethioyl-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[(2-ethoxy-3-hydroxypropyl)-[2-methanethioyl-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-ethoxy-3-hydroxypropyl)-(2-methanethioyl-3-naphthalen-1-ylpropanoyl)amino]hexanoate Traditional Name: 2-[(2-ethoxy-3-hydroxy-propyl)-[2-(1-naphthylmethyl)-3-thioxo-propanoyl]amino]hexanoic acid tert-butyl ester Formula: C29H41NO5S MolecularWeight: 515.70454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H41NO5S/c1-6-8-16-26(28(33)35-29(3,4)5)30(18-24(19-31)34-7-2)27(32)23(20-36)17-22-14-11-13-21-12-9-10-15-25(21)22/h9-15,20,23-24,26,31H,6-8,16-19H2,1-5H3