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

Systemtic Name: [4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,6-dimethoxy-phenyl] propanoate Openeye Name: [4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2,6-dimethoxy-phenyl] propanoate CAS Name: propanoic acid [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,6-dimethoxyphenyl] ester IUPAC Name: [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,6-dimethoxyphenyl] propanoate Traditional Name: propionic acid [4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2,6-dimethoxy-phenyl] ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1OC)C=C2C(=O)NC(=S)NC2=O)OC

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1OC)C=C2C(=O)NC(=S)NC2=O)OC

InChI

InChI=1S/C16H16N2O6S/c1-4-12(19)24-13-10(22-2)6-8(7-11(13)23-3)5-9-14(20)17-16(25)18-15(9)21/h5-7H,4H2,1-3H3,(H2,17,18,20,21,25)