(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H22N2O5S2 MolecularWeight: 494.58258

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H22N2O5S2/c1-34(30,31)26-15-18-9-3-2-8-17(18)14-21(26)25(29)32-16-24(28)27-19-10-4-6-12-22(19)33-23-13-7-5-11-20(23)27/h2-13,21H,14-16H2,1H3