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

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H17NO3S2 MolecularWeight: 347.45178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C17H17NO3S2/c19-15(14-3-1-8-18-14)11-21-16(20)12-4-6-13(7-5-12)17-22-9-2-10-23-17/h1,3-8,17-18H,2,9-11H2