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diethyl 2-(4-chlorophenyl)-3-thiocyanato-butanedioate

diethyl 2-(4-chlorophenyl)-3-thiocyanato-butanedioate

Systemtic Name:diethyl 2-(4-chlorophenyl)-3-thiocyanato-butanedioate
Openeye Name:diethyl 2-(4-chlorophenyl)-3-thiocyanato-butanedioate
CAS Name:2-(4-chlorophenyl)-3-thiocyanatobutanedioic acid diethyl ester
IUPAC Name:diethyl 2-(4-chlorophenyl)-3-thiocyanatobutanedioate
Traditional Name:2-(4-chlorophenyl)-3-thiocyanato-succinic acid diethyl ester
Formula: C15H16ClNO4S
MolecularWeight: 341.80984
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)Cl)C(C(=O)OCC)SC#N


Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)Cl)C(C(=O)OCC)SC#N


InChI

InChI=1S/C15H16ClNO4S/c1-3-20-14(18)12(10-5-7-11(16)8-6-10)13(22-9-17)15(19)21-4-2/h5-8,12-13H,3-4H2,1-2H3


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