4-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)butyl 4-methanoylbenzoate

Systemtic Name: 4-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)butyl 4-methanoylbenzoate Openeye Name: 4-(4-oxo-2-thioxo-1H-pyrimidin-5-yl)butyl 4-formylbenzoate CAS Name: 4-formylbenzoic acid 4-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)butyl ester IUPAC Name: 4-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)butyl 4-formylbenzoate Traditional Name: 4-formylbenzoic acid 4-(4-keto-2-thioxo-1H-pyrimidin-5-yl)butyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)C(=O)OCCCCC2=CNC(=S)NC2=O

Isomeric SMILES

C1=CC(=CC=C1C=O)C(=O)OCCCCC2=CNC(=S)NC2=O

InChI

InChI=1S/C16H16N2O4S/c19-10-11-4-6-12(7-5-11)15(21)22-8-2-1-3-13-9-17-16(23)18-14(13)20/h4-7,9-10H,1-3,8H2,(H2,17,18,20,23)