3-[[4-[(Z)-[1-(4-ethoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoate

Systemtic Name: 3-[[4-[(Z)-[1-(4-ethoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoate Openeye Name: 3-[[4-[(Z)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]methyl]benzoate CAS Name: 3-[[4-[(Z)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoate IUPAC Name: 3-[[4-[(Z)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoate Traditional Name: 3-[[4-[(Z)-(4,6-diketo-1-p-phenetyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Formula: C27H21N2O6S- MolecularWeight: 501.53044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC(=C4)C(=O)[O-])C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)OCC4=CC=CC(=C4)C(=O)[O-])/C(=O)NC2=S

InChI

InChI=1S/C27H22N2O6S/c1-2-34-21-12-8-20(9-13-21)29-25(31)23(24(30)28-27(29)36)15-17-6-10-22(11-7-17)35-16-18-4-3-5-19(14-18)26(32)33/h3-15H,2,16H2,1H3,(H,32,33)(H,28,30,36)/p-1/b23-15-