3-[5-[[3-methoxy-4-[(3-methylphenyl)methoxy]-5-prop-2-enyl-phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[5-[[3-methoxy-4-[(3-methylphenyl)methoxy]-5-prop-2-enyl-phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[3-allyl-5-methoxy-4-(m-tolylmethoxy)phenyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[3-methoxy-4-[(3-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[3-methoxy-4-[(3-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[3-allyl-5-methoxy-4-(3-methylbenzyl)oxy-benzylidene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C30H26N2O6S MolecularWeight: 542.60224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=C(C=C(C=C2OC)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O)CC=C

Isomeric SMILES

CC1=CC(=CC=C1)COC2=C(C=C(C=C2OC)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O)CC=C

InChI

InChI=1S/C30H26N2O6S/c1-4-7-21-13-20(15-25(37-3)26(21)38-17-19-9-5-8-18(2)12-19)14-24-27(33)31-30(39)32(28(24)34)23-11-6-10-22(16-23)29(35)36/h4-6,8-16H,1,7,17H2,2-3H3,(H,35,36)(H,31,33,39)