(E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxidanylidene-N-(phenylmethyl)pent-4-enamide

Systemtic Name: (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxidanylidene-N-(phenylmethyl)pent-4-enamide Openeye Name: (E)-N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxo-pent-4-enamide CAS Name: (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxo-N-(phenylmethyl)-4-pentenamide IUPAC Name: (E)-N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide Traditional Name: (E)-N-benzyl-2-(1,3-dithiolan-2-ylidene)-3-keto-5-(4-methoxyphenyl)pent-4-enamide Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)C(=C2SCCS2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)C(=C2SCCS2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO3S2/c1-26-18-10-7-16(8-11-18)9-12-19(24)20(22-27-13-14-28-22)21(25)23-15-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,23,25)/b12-9+