methyl 7-[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylamino]heptanoate Openeye Name: methyl 7-[[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoyl]amino]heptanoate CAS Name: 7-[[oxo-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]phenyl]methyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]heptanoate Traditional Name: 7-[[2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoyl]amino]enanthic acid methyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1=CC=CC=C1SCC(=O)N2CCCC2

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1=CC=CC=C1SCC(=O)N2CCCC2

InChI

InChI=1S/C21H30N2O4S/c1-27-20(25)12-4-2-3-7-13-22-21(26)17-10-5-6-11-18(17)28-16-19(24)23-14-8-9-15-23/h5-6,10-11H,2-4,7-9,12-16H2,1H3,(H,22,26)