methyl 2-[8-[2-[2-(2-oxidanylidenepyrrolidin-1-yl)ethanoylamino]ethyl]naphthalen-2-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[8-[2-[2-(2-oxidanylidenepyrrolidin-1-yl)ethanoylamino]ethyl]naphthalen-2-yl]sulfanylbenzoate Openeye Name: methyl 2-[[8-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]-2-naphthyl]sulfanyl]benzoate CAS Name: 2-[[8-[2-[[1-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl]amino]ethyl]-2-naphthalenyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[8-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]naphthalen-2-yl]sulfanylbenzoate Traditional Name: 2-[[8-[2-[[2-(2-ketopyrrolidino)acetyl]amino]ethyl]-2-naphthyl]thio]benzoic acid methyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=CC3=C(C=CC=C3CCNC(=O)CN4CCCC4=O)C=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=CC3=C(C=CC=C3CCNC(=O)CN4CCCC4=O)C=C2

InChI

InChI=1S/C26H26N2O4S/c1-32-26(31)21-8-2-3-9-23(21)33-20-12-11-18-6-4-7-19(22(18)16-20)13-14-27-24(29)17-28-15-5-10-25(28)30/h2-4,6-9,11-12,16H,5,10,13-15,17H2,1H3,(H,27,29)