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

Systemtic Name: 3-[3-[(E)-[1-(2-methoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoic acid Openeye Name: 3-[3-[(E)-[1-(2-methoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoic acid CAS Name: 3-[3-[(E)-[1-(2-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-1-pyrrolyl]-2-methylbenzoic acid IUPAC Name: 3-[3-[(E)-[1-(2-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoic acid Traditional Name: 3-[3-[(E)-[4,6-diketo-1-(2-methoxyphenyl)-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoic acid Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=CC=C4OC

InChI

InChI=1S/C26H23N3O5S/c1-14-12-17(16(3)28(14)20-10-7-8-18(15(20)2)25(32)33)13-19-23(30)27-26(35)29(24(19)31)21-9-5-6-11-22(21)34-4/h5-13H,1-4H3,(H,32,33)(H,27,30,35)/b19-13+