phenanthridin-6-ylmethyl (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate

Systemtic Name: phenanthridin-6-ylmethyl (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: phenanthridin-6-ylmethyl (2R)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: (2R)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-phthalimido-butyric acid phenanthridin-6-ylmethyl ester Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=NC2=CC=CC=C2C3=CC=CC=C31)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CSCC[C@H](C(=O)OCC1=NC2=CC=CC=C2C3=CC=CC=C31)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H22N2O4S/c1-34-15-14-24(29-25(30)20-11-4-5-12-21(20)26(29)31)27(32)33-16-23-19-10-3-2-8-17(19)18-9-6-7-13-22(18)28-23/h2-13,24H,14-16H2,1H3/t24-/m1/s1