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

Systemtic Name: [4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-ethoxy-phenyl] 4-methylbenzoate Openeye Name: [4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-ethoxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-ethoxy-phenyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H18N2O5S/c1-3-27-17-11-13(10-15-18(24)22-21(29)23-19(15)25)6-9-16(17)28-20(26)14-7-4-12(2)5-8-14/h4-11H,3H2,1-2H3,(H2,22,23,24,25,29)