4-[(2E)-5-chloranyl-2-[(E)-4-(1-hydroxyethyloxy)-3-(5-oxidanylidene-1-pyridin-2-yl-2-sulfanylidene-imidazolidin-4-yl)but-2-enylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonic acid

Systemtic Name: 4-[(2E)-5-chloranyl-2-[(E)-4-(1-hydroxyethyloxy)-3-(5-oxidanylidene-1-pyridin-2-yl-2-sulfanylidene-imidazolidin-4-yl)but-2-enylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonic acid Openeye Name: 4-[(2E)-5-chloro-2-[(E)-4-(1-hydroxyethoxy)-3-[5-oxo-1-(2-pyridyl)-2-thioxo-imidazolidin-4-yl]but-2-enylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonic acid CAS Name: 4-[(2E)-5-chloro-2-[(E)-4-(1-hydroxyethoxy)-3-[5-oxo-1-(2-pyridinyl)-2-sulfanylidene-4-imidazolidinyl]but-2-enylidene]-1,3-benzoxazol-3-yl]-1-butanesulfonic acid IUPAC Name: 4-[(2E)-5-chloro-2-[(E)-4-(1-hydroxyethoxy)-3-(5-oxo-1-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl)but-2-enylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonic acid Traditional Name: 4-[(2E)-5-chloro-2-[(E)-4-(1-hydroxyethoxy)-3-[5-keto-1-(2-pyridyl)-2-thioxo-imidazolidin-4-yl]but-2-enylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonic acid Formula: C25H27ClN4O7S2 MolecularWeight: 595.08748

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)OCC(=CC=C1N(C2=C(O1)C=CC(=C2)Cl)CCCCS(=O)(=O)O)C3C(=O)N(C(=S)N3)C4=CC=CC=N4

Isomeric SMILES

CC(O)OC/C(=C/C=C/1\N(C2=C(O1)C=CC(=C2)Cl)CCCCS(=O)(=O)O)/C3C(=O)N(C(=S)N3)C4=CC=CC=N4

InChI

InChI=1S/C25H27ClN4O7S2/c1-16(31)36-15-17(23-24(32)30(25(38)28-23)21-6-2-3-11-27-21)7-10-22-29(12-4-5-13-39(33,34)35)19-14-18(26)8-9-20(19)37-22/h2-3,6-11,14,16,23,31H,4-5,12-13,15H2,1H3,(H,28,38)(H,33,34,35)/b17-7-,22-10+