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

Systemtic Name: [4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-5-bromanyl-2-methoxy-phenyl] ethanoate Openeye Name: [5-bromo-4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenyl] acetate CAS Name: acetic acid [5-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [5-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl] acetate Traditional Name: acetic acid [5-bromo-4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C14H11BrN2O5S MolecularWeight: 399.21654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrN2O5S/c1-6(18)22-11-5-9(15)7(4-10(11)21-2)3-8-12(19)16-14(23)17-13(8)20/h3-5H,1-2H3,(H2,16,17,19,20,23)