[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C21H23NO4S2 MolecularWeight: 417.54162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C21H23NO4S2/c1-12-18(14(3)23)13(2)22-19(12)17(24)11-26-20(25)15-5-7-16(8-6-15)21-27-9-4-10-28-21/h5-8,21-22H,4,9-11H2,1-3H3