3-[2-[(E)-[1-(4-ethoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[(E)-[1-(4-ethoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[(E)-(4,6-diketo-1-p-phenetyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Formula: C24H19N3O5S MolecularWeight: 461.48976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)O)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/C(=O)NC2=S

InChI

InChI=1S/C24H19N3O5S/c1-2-32-19-10-8-16(9-11-19)27-22(29)20(21(28)25-24(27)33)14-18-7-4-12-26(18)17-6-3-5-15(13-17)23(30)31/h3-14H,2H2,1H3,(H,30,31)(H,25,28,33)/b20-14+