(2R)-2-[[1,3-bis(oxidanylidene)inden-2-yl]methylideneamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[[1,3-bis(oxidanylidene)inden-2-yl]methylideneamino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[(1,3-dioxoindan-2-yl)methyleneamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(1,3-dioxo-2-indenyl)methylideneamino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[(1,3-dioxoinden-2-yl)methylideneamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(1,3-diketoindan-2-yl)methyleneamino]-4-(methylthio)butyrate Formula: C15H14NO4S- MolecularWeight: 304.34096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])N=CC1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CSCC[C@H](C(=O)[O-])N=CC1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C15H15NO4S/c1-21-7-6-12(15(19)20)16-8-11-13(17)9-4-2-3-5-10(9)14(11)18/h2-5,8,11-12H,6-7H2,1H3,(H,19,20)/p-1/t12-/m1/s1