3-[5-[[1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[5-[[1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[[1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C25H20ClN3O5S MolecularWeight: 509.9614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClN3O5S/c1-13-9-16(14(2)28(13)20-12-17(26)7-8-21(20)34-3)11-19-22(30)27-25(35)29(23(19)31)18-6-4-5-15(10-18)24(32)33/h4-12H,1-3H3,(H,32,33)(H,27,30,35)