dimethyl (Z)-2-(2-methylsulfanylimidazo[2,1-a]isoquinolin-3-yl)but-2-enedioate

Systemtic Name: dimethyl (Z)-2-(2-methylsulfanylimidazo[2,1-a]isoquinolin-3-yl)but-2-enedioate Openeye Name: dimethyl (Z)-2-(2-methylsulfanylimidazo[2,1-a]isoquinolin-3-yl)but-2-enedioate CAS Name: (Z)-2-[2-(methylthio)-3-imidazo[2,1-a]isoquinolinyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-(2-methylsulfanylimidazo[2,1-a]isoquinolin-3-yl)but-2-enedioate Traditional Name: (Z)-2-[2-(methylthio)imidaz[2,1-a]isoquinolin-3-yl]but-2-enedioic acid dimethyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C1=C(N=C2N1C=CC3=CC=CC=C32)SC)C(=O)OC

Isomeric SMILES

COC(=O)/C=C(/C1=C(N=C2N1C=CC3=CC=CC=C32)SC)\C(=O)OC

InChI

InChI=1S/C18H16N2O4S/c1-23-14(21)10-13(18(22)24-2)15-17(25-3)19-16-12-7-5-4-6-11(12)8-9-20(15)16/h4-10H,1-3H3/b13-10-