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

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3)C

InChI

InChI=1S/C20H23NO3S2/c1-4-21-13(2)11-17(14(21)3)18(22)12-24-19(23)15-5-7-16(8-6-15)20-25-9-10-26-20/h5-8,11,20H,4,9-10,12H2,1-3H3