methyl 4-[2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(1,2-dihydroacenaphthylen-5-ylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(acenaphthen-5-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C22H19NO3S MolecularWeight: 377.45616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C3C=CC=C4C3=C(CC4)C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C3C=CC=C4C3=C(CC4)C=C2

InChI

InChI=1S/C22H19NO3S/c1-26-22(25)16-7-10-17(11-8-16)23-20(24)13-27-19-12-9-15-6-5-14-3-2-4-18(19)21(14)15/h2-4,7-12H,5-6,13H2,1H3,(H,23,24)