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

Systemtic Name: methyl 4-[3-[[1-(4-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoate Openeye Name: methyl 4-[3-[[1-(4-fluorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoate CAS Name: 4-[3-[[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-1-pyrrolyl]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-[[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]-3-methylbenzoate Traditional Name: 4-[3-[[1-(4-fluorophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid methyl ester Formula: C26H22FN3O4S MolecularWeight: 491.533983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H22FN3O4S/c1-14-11-17(25(33)34-4)5-10-22(14)29-15(2)12-18(16(29)3)13-21-23(31)28-26(35)30(24(21)32)20-8-6-19(27)7-9-20/h5-13H,1-4H3,(H,28,31,35)