tert-butyl N-[(E,3S)-5-methylsulfanyl-1-(phenylsulfonyl)pent-1-en-3-yl]carbamate

Systemtic Name: tert-butyl N-[(E,3S)-5-methylsulfanyl-1-(phenylsulfonyl)pent-1-en-3-yl]carbamate Openeye Name: tert-butyl N-[(E,1S)-3-(benzenesulfonyl)-1-(2-methylsulfanylethyl)allyl]carbamate CAS Name: N-[(E,3S)-1-(benzenesulfonyl)-5-(methylthio)pent-1-en-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,3S)-1-(benzenesulfonyl)-5-methylsulfanylpent-1-en-3-yl]carbamate Traditional Name: N-[(E,1S)-3-besyl-1-[2-(methylthio)ethyl]allyl]carbamic acid tert-butyl ester Formula: C17H25NO4S2 MolecularWeight: 371.5147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C=CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCSC)/C=C/S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H25NO4S2/c1-17(2,3)22-16(19)18-14(10-12-23-4)11-13-24(20,21)15-8-6-5-7-9-15/h5-9,11,13-14H,10,12H2,1-4H3,(H,18,19)/b13-11+/t14-/m0/s1