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

Systemtic Name: butyl 2-(4-oxidanylidene-6-phenyl-2-sulfanylidene-1H-pyrimidin-5-yl)ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1=C(NC(=S)NC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)CC1=C(NC(=S)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S/c1-2-3-9-21-13(19)10-12-14(11-7-5-4-6-8-11)17-16(22)18-15(12)20/h4-8H,2-3,9-10H2,1H3,(H2,17,18,20,22)