4-(isoquinolin-1-ylsulfanylmethyl)-5-methyl-1,3-dioxol-2-one

Systemtic Name: 4-(isoquinolin-1-ylsulfanylmethyl)-5-methyl-1,3-dioxol-2-one Openeye Name: 4-(1-isoquinolylsulfanylmethyl)-5-methyl-1,3-dioxol-2-one CAS Name: 4-[(1-isoquinolinylthio)methyl]-5-methyl-1,3-dioxol-2-one IUPAC Name: 4-(isoquinolin-1-ylsulfanylmethyl)-5-methyl-1,3-dioxol-2-one Traditional Name: 4-[(1-isoquinolylthio)methyl]-5-methyl-1,3-dioxol-2-one Formula: C14H11NO3S MolecularWeight: 273.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=O)O1)CSC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(OC(=O)O1)CSC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C14H11NO3S/c1-9-12(18-14(16)17-9)8-19-13-11-5-3-2-4-10(11)6-7-15-13/h2-7H,8H2,1H3