dimethyl (2R)-2-isothiocyanatobutanedioate

Systemtic Name: dimethyl (2R)-2-isothiocyanatobutanedioate Openeye Name: dimethyl (2R)-2-isothiocyanatobutanedioate CAS Name: (2R)-2-isothiocyanatobutanedioic acid dimethyl ester IUPAC Name: dimethyl (2R)-2-isothiocyanatobutanedioate Traditional Name: (2R)-2-isothiocyanatosuccinic acid dimethyl ester Formula: C7H9NO4S MolecularWeight: 203.21566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)N=C=S

Isomeric SMILES

COC(=O)C[C@H](C(=O)OC)N=C=S

InChI

InChI=1S/C7H9NO4S/c1-11-6(9)3-5(8-4-13)7(10)12-2/h5H,3H2,1-2H3/t5-/m1/s1