ethyl 4-[4,6-bis(oxidanylidene)-5-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]butanoate

Systemtic Name: ethyl 4-[4,6-bis(oxidanylidene)-5-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]butanoate Openeye Name: ethyl 4-(4,6-dioxo-5-phenyl-2-thioxo-hexahydropyrimidin-5-yl)butanoate CAS Name: 4-(4,6-dioxo-5-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(4,6-dioxo-5-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)butanoate Traditional Name: 4-(4,6-diketo-5-phenyl-2-thioxo-hexahydropyrimidin-5-yl)butyric acid ethyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1(C(=O)NC(=S)NC1=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCC1(C(=O)NC(=S)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O4S/c1-2-22-12(19)9-6-10-16(11-7-4-3-5-8-11)13(20)17-15(23)18-14(16)21/h3-5,7-8H,2,6,9-10H2,1H3,(H2,17,18,20,21,23)