2-chloroethyl 2-(4-oxidanylidene-6-phenyl-2-sulfanylidene-1H-pyrimidin-5-yl)ethanoate

Systemtic Name: 2-chloroethyl 2-(4-oxidanylidene-6-phenyl-2-sulfanylidene-1H-pyrimidin-5-yl)ethanoate Openeye Name: 2-chloroethyl 2-(4-oxo-6-phenyl-2-thioxo-1H-pyrimidin-5-yl)acetate CAS Name: 2-(4-oxo-6-phenyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 2-(4-oxo-6-phenyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetate Traditional Name: 2-(4-keto-6-phenyl-2-thioxo-1H-pyrimidin-5-yl)acetic acid 2-chloroethyl ester Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)CC(=O)OCCCl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)CC(=O)OCCCl

InChI

InChI=1S/C14H13ClN2O3S/c15-6-7-20-11(18)8-10-12(9-4-2-1-3-5-9)16-14(21)17-13(10)19/h1-5H,6-8H2,(H2,16,17,19,21)