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

Systemtic Name: phenanthridin-6-ylmethyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: phenanthridin-6-ylmethyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid phenanthridin-6-ylmethyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C25H22N2O3S/c1-27(2)24(28)16-31-23-14-8-6-12-20(23)25(29)30-15-22-19-11-4-3-9-17(19)18-10-5-7-13-21(18)26-22/h3-14H,15-16H2,1-2H3