[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxylic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] ester IUPAC Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-pyrrolidinosulfonylthiophene-2-carboxylic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl] ester Formula: C25H24N2O5S2 MolecularWeight: 496.59846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)OCC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)OCC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53

InChI

InChI=1S/C25H24N2O5S2/c28-23(27-20-9-3-1-7-18(20)11-12-19-8-2-4-10-21(19)27)17-32-25(29)24-22(13-16-33-24)34(30,31)26-14-5-6-15-26/h1-4,7-10,13,16H,5-6,11-12,14-15,17H2