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

Systemtic Name: 2-[[6-oxidanylidene-5-(phenylmethyl)-3,4-dihydro-1H-2,5-benzothiazocin-4-yl]methyl]prop-2-enal Openeye Name: 2-[(5-benzyl-6-oxo-3,4-dihydro-1H-2,5-benzothiazocin-4-yl)methyl]prop-2-enal CAS Name: 2-[[6-oxo-5-(phenylmethyl)-3,4-dihydro-1H-2,5-benzothiazocin-4-yl]methyl]-2-propenal IUPAC Name: 2-[(5-benzyl-6-oxo-3,4-dihydro-1H-2,5-benzothiazocin-4-yl)methyl]prop-2-enal Traditional Name: 2-[(5-benzyl-6-keto-3,4-dihydro-1H-2,5-benzothiazocin-4-yl)methyl]acrolein Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CC1CSCC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)C=O

Isomeric SMILES

C=C(CC1CSCC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)C=O

InChI

InChI=1S/C21H21NO2S/c1-16(13-23)11-19-15-25-14-18-9-5-6-10-20(18)21(24)22(19)12-17-7-3-2-4-8-17/h2-10,13,19H,1,11-12,14-15H2