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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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