[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenyl] butanoate

Systemtic Name: [4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenyl] butanoate Openeye Name: [4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenyl] butanoate CAS Name: butanoic acid [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl] butanoate Traditional Name: butyric acid [4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)OC

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)OC

InChI

InChI=1S/C16H16N2O5S/c1-3-4-13(19)23-11-6-5-9(8-12(11)22-2)7-10-14(20)17-16(24)18-15(10)21/h5-8H,3-4H2,1-2H3,(H2,17,18,20,21,24)