ethyl 4-[(2-phenanthridin-6-ylsulfanylethanoylamino)methyl]benzoate

Systemtic Name: ethyl 4-[(2-phenanthridin-6-ylsulfanylethanoylamino)methyl]benzoate Openeye Name: ethyl 4-[[(2-phenanthridin-6-ylsulfanylacetyl)amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(6-phenanthridinylthio)ethyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-phenanthridin-6-ylsulfanylacetyl)amino]methyl]benzoate Traditional Name: 4-[[[2-(phenanthridin-6-ylthio)acetyl]amino]methyl]benzoic acid ethyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

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