methyl 2-[2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[3-(cyclopentylmethyl)-2-quinolyl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[3-(cyclopentylmethyl)-2-quinolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-(cyclopentylmethyl)-2-quinolyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C=C2CC4CCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C=C2CC4CCCC4

InChI

InChI=1S/C25H26N2O3S/c1-30-25(29)20-11-5-7-13-22(20)26-23(28)16-31-24-19(14-17-8-2-3-9-17)15-18-10-4-6-12-21(18)27-24/h4-7,10-13,15,17H,2-3,8-9,14,16H2,1H3,(H,26,28)