methyl N-[(2S,3R)-1-naphthalen-1-yl-2-(phenylmethylsulfanyl)heptan-3-yl]carbamate

Systemtic Name: methyl N-[(2S,3R)-1-naphthalen-1-yl-2-(phenylmethylsulfanyl)heptan-3-yl]carbamate Openeye Name: methyl N-[(1R)-1-[(1S)-1-benzylsulfanyl-2-(1-naphthyl)ethyl]pentyl]carbamate CAS Name: N-[(2S,3R)-1-(1-naphthalenyl)-2-(phenylmethylthio)heptan-3-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(2S,3R)-2-benzylsulfanyl-1-naphthalen-1-ylheptan-3-yl]carbamate Traditional Name: N-[(1R)-1-[(1S)-1-(benzylthio)-2-(1-naphthyl)ethyl]pentyl]carbamic acid methyl ester Formula: C26H31NO2S MolecularWeight: 421.59484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1=CC=CC2=CC=CC=C21)SCC3=CC=CC=C3)NC(=O)OC

Isomeric SMILES

CCCC[C@H]([C@H](CC1=CC=CC2=CC=CC=C21)SCC3=CC=CC=C3)NC(=O)OC

InChI

InChI=1S/C26H31NO2S/c1-3-4-17-24(27-26(28)29-2)25(30-19-20-11-6-5-7-12-20)18-22-15-10-14-21-13-8-9-16-23(21)22/h5-16,24-25H,3-4,17-19H2,1-2H3,(H,27,28)/t24-,25+/m1/s1