2-[4-[(E)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-chloranyl-6-ethoxy-phenoxy]ethanoic acid; ethanedioic acid

Systemtic Name: 2-[4-[(E)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-chloranyl-6-ethoxy-phenoxy]ethanoic acid; ethanedioic acid Openeye Name: 2-[4-[(E)-(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-chloro-6-ethoxy-phenoxy]acetic acid; oxalic acid CAS Name: 2-[2-chloro-4-[(E)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-ethoxyphenoxy]acetic acid; oxalic acid IUPAC Name: 2-[2-chloro-4-[(E)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-ethoxyphenoxy]acetic acid; oxalic acid Traditional Name: 2-[4-[(E)-(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-chloro-6-ethoxy-phenoxy]acetic acid; oxalic acid Formula: C20H19ClN2O10S MolecularWeight: 514.89026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)Cl)OCC(=O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)CC=C)Cl)OCC(=O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H17ClN2O6S.C2H2O4/c1-3-5-21-17(25)11(16(24)20-18(21)28)6-10-7-12(19)15(27-9-14(22)23)13(8-10)26-4-2;3-1(4)2(5)6/h3,6-8H,1,4-5,9H2,2H3,(H,22,23)(H,20,24,28);(H,3,4)(H,5,6)/b11-6+;