[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(1-methylpyrrol-2-yl)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(1-methyl-2-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylpyrrol-2-yl)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-2-(1-methylpyrrol-2-yl)ethyl] ester Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CN1C=CC=C1C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C17H17NO3S2/c1-18-8-2-3-14(18)15(19)11-21-16(20)12-4-6-13(7-5-12)17-22-9-10-23-17/h2-8,17H,9-11H2,1H3