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

Systemtic Name: tert-butyl 2-[(2-methanethioyl-3-naphthalen-1-yl-propanoyl)-(2-methoxy-3-propanoyloxy-propyl)amino]hexanoate Openeye Name: tert-butyl 2-[[2-methanethioyl-3-(1-naphthyl)propanoyl]-(2-methoxy-3-propanoyloxy-propyl)amino]hexanoate CAS Name: 2-[[2-methanethioyl-3-(1-naphthalenyl)-1-oxopropyl]-[2-methoxy-3-(1-oxopropoxy)propyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-methanethioyl-3-naphthalen-1-ylpropanoyl)-(2-methoxy-3-propanoyloxypropyl)amino]hexanoate Traditional Name: 2-[(2-methoxy-3-propionyloxy-propyl)-[2-(1-naphthylmethyl)-3-thioxo-propanoyl]amino]hexanoic acid tert-butyl ester Formula: C31H43NO6S MolecularWeight: 557.74122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43NO6S/c1-7-9-17-27(30(35)38-31(3,4)5)32(19-25(36-6)20-37-28(33)8-2)29(34)24(21-39)18-23-15-12-14-22-13-10-11-16-26(22)23/h10-16,21,24-25,27H,7-9,17-20H2,1-6H3