methylcyclopropane; methyl 4-[(1-ethylsulfanylisoquinolin-4-yl)methyl]benzoate

Systemtic Name: methylcyclopropane; methyl 4-[(1-ethylsulfanylisoquinolin-4-yl)methyl]benzoate Openeye Name: methylcyclopropane; methyl 4-[(1-ethylsulfanyl-4-isoquinolyl)methyl]benzoate CAS Name: 4-[[1-(ethylthio)-4-isoquinolinyl]methyl]benzoic acid methyl ester; methylcyclopropane IUPAC Name: methylcyclopropane; methyl 4-[(1-ethylsulfanylisoquinolin-4-yl)methyl]benzoate Traditional Name: 4-[[1-(ethylthio)-4-isoquinolyl]methyl]benzoic acid methyl ester; methylcyclopropane Formula: C24H27NO2S MolecularWeight: 393.54168

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)OC.CC1CC1

Isomeric SMILES

CCSC1=NC=C(C2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)OC.CC1CC1

InChI

InChI=1S/C20H19NO2S.C4H8/c1-3-24-19-18-7-5-4-6-17(18)16(13-21-19)12-14-8-10-15(11-9-14)20(22)23-2;1-4-2-3-4/h4-11,13H,3,12H2,1-2H3;4H,2-3H2,1H3