3-[[4-[(E)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-chloranyl-phenoxy]methyl]benzoate

Systemtic Name: 3-[[4-[(E)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-chloranyl-phenoxy]methyl]benzoate Openeye Name: 3-[[4-[(E)-(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-chloro-phenoxy]methyl]benzoate CAS Name: 3-[[2-chloro-4-[(E)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoate IUPAC Name: 3-[[2-chloro-4-[(E)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 3-[[4-[(E)-(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-chloro-phenoxy]methyl]benzoate Formula: C22H16ClN2O5S- MolecularWeight: 455.89084

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)[O-])Cl)C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)[O-])Cl)/C(=O)NC1=S

InChI

InChI=1S/C22H17ClN2O5S/c1-2-8-25-20(27)16(19(26)24-22(25)31)10-13-6-7-18(17(23)11-13)30-12-14-4-3-5-15(9-14)21(28)29/h2-7,9-11H,1,8,12H2,(H,28,29)(H,24,26,31)/p-1/b16-10+