phenanthridin-6-ylmethyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: phenanthridin-6-ylmethyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: phenanthridin-6-ylmethyl 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid phenanthridin-6-ylmethyl ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C26H24N2O4S/c1-31-15-14-27-25(29)17-33-24-13-7-5-11-21(24)26(30)32-16-23-20-10-3-2-8-18(20)19-9-4-6-12-22(19)28-23/h2-13H,14-17H2,1H3,(H,27,29)