(3S,6R)-3-methoxy-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-6-methylsulfanyl-piperazine-2,5-dione

Systemtic Name: (3S,6R)-3-methoxy-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-6-methylsulfanyl-piperazine-2,5-dione Openeye Name: (3S,6R)-3-methoxy-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-6-methylsulfanyl-piperazine-2,5-dione CAS Name: (3S,6R)-3-methoxy-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-6-(methylthio)piperazine-2,5-dione IUPAC Name: (3S,6R)-3-methoxy-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-6-methylsulfanylpiperazine-2,5-dione Traditional Name: (3S,6R)-3-methoxy-3-[4-(3-methylbut-2-enoxy)benzyl]-6-(methylthio)piperazine-2,5-quinone Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=CC=C(C=C1)CC2(C(=O)NC(C(=O)N2)SC)OC)C

Isomeric SMILES

CC(=CCOC1=CC=C(C=C1)C[C@@]2(C(=O)N[C@@H](C(=O)N2)SC)OC)C

InChI

InChI=1S/C18H24N2O4S/c1-12(2)9-10-24-14-7-5-13(6-8-14)11-18(23-3)17(22)19-16(25-4)15(21)20-18/h5-9,16H,10-11H2,1-4H3,(H,19,22)(H,20,21)/t16-,18+/m1/s1