diethyl 2-isothiocyanatobutanedioate

Systemtic Name: diethyl 2-isothiocyanatobutanedioate Openeye Name: diethyl 2-isothiocyanatobutanedioate CAS Name: 2-isothiocyanatobutanedioic acid diethyl ester IUPAC Name: diethyl 2-isothiocyanatobutanedioate Traditional Name: 2-isothiocyanatosuccinic acid diethyl ester Formula: C9H13NO4S MolecularWeight: 231.26882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)OCC)N=C=S

Isomeric SMILES

CCOC(=O)CC(C(=O)OCC)N=C=S

InChI

InChI=1S/C9H13NO4S/c1-3-13-8(11)5-7(10-6-15)9(12)14-4-2/h7H,3-5H2,1-2H3