2-[[6-oxidanylidene-5-(phenylmethyl)-3,4-dihydro-1H-2,5-benzothiazocin-4-yl]methyl]-3-(phenylmethylsulfanyl)propanal

Systemtic Name: 2-[[6-oxidanylidene-5-(phenylmethyl)-3,4-dihydro-1H-2,5-benzothiazocin-4-yl]methyl]-3-(phenylmethylsulfanyl)propanal Openeye Name: 2-[(5-benzyl-6-oxo-3,4-dihydro-1H-2,5-benzothiazocin-4-yl)methyl]-3-benzylsulfanyl-propanal CAS Name: 2-[[6-oxo-5-(phenylmethyl)-3,4-dihydro-1H-2,5-benzothiazocin-4-yl]methyl]-3-(phenylmethylthio)propanal IUPAC Name: 2-[(5-benzyl-6-oxo-3,4-dihydro-1H-2,5-benzothiazocin-4-yl)methyl]-3-benzylsulfanylpropanal Traditional Name: 2-[(5-benzyl-6-keto-3,4-dihydro-1H-2,5-benzothiazocin-4-yl)methyl]-3-(benzylthio)propionaldehyde Formula: C28H29NO2S2 MolecularWeight: 475.66536

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)C2=CC=CC=C2CS1)CC3=CC=CC=C3)CC(CSCC4=CC=CC=C4)C=O

Isomeric SMILES

C1C(N(C(=O)C2=CC=CC=C2CS1)CC3=CC=CC=C3)CC(CSCC4=CC=CC=C4)C=O

InChI

InChI=1S/C28H29NO2S2/c30-17-24(19-32-18-23-11-5-2-6-12-23)15-26-21-33-20-25-13-7-8-14-27(25)28(31)29(26)16-22-9-3-1-4-10-22/h1-14,17,24,26H,15-16,18-21H2