ethyl 2-[2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-(7,8,9,10-tetrahydrophenanthridin-6-ylthio)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 2-[[2-(7,8,9,10-tetrahydrophenanthridin-6-ylthio)acetyl]amino]benzoic acid ethyl ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C4=C2CCCC4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C4=C2CCCC4

InChI

InChI=1S/C24H24N2O3S/c1-2-29-24(28)19-12-6-8-14-21(19)25-22(27)15-30-23-18-11-4-3-9-16(18)17-10-5-7-13-20(17)26-23/h5-8,10,12-14H,2-4,9,11,15H2,1H3,(H,25,27)