3-[(2E)-2-[(E)-3-cyano-4-(4-methoxynaphthalen-1-yl)-4-oxidanylidene-but-2-enylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonate

Systemtic Name: 3-[(2E)-2-[(E)-3-cyano-4-(4-methoxynaphthalen-1-yl)-4-oxidanylidene-but-2-enylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonate Openeye Name: 3-[(2E)-2-[(E)-3-cyano-4-(4-methoxy-1-naphthyl)-4-oxo-but-2-enylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonate CAS Name: 3-[(2E)-2-[(E)-3-cyano-4-(4-methoxy-1-naphthalenyl)-4-oxobut-2-enylidene]-5-phenyl-1,3-benzoxazol-3-yl]-1-propanesulfonate IUPAC Name: 3-[(2E)-2-[(E)-3-cyano-4-(4-methoxynaphthalen-1-yl)-4-oxobut-2-enylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonate Traditional Name: 3-[(2E)-2-[(E)-3-cyano-4-keto-4-(4-methoxy-1-naphthyl)but-2-enylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonate Formula: C32H25N2O6S- MolecularWeight: 565.6157

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)C(=O)C(=CC=C3N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CCCS(=O)(=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)C(=O)/C(=C/C=C/3\N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CCCS(=O)(=O)[O-])/C#N

InChI

InChI=1S/C32H26N2O6S/c1-39-29-16-14-27(25-10-5-6-11-26(25)29)32(35)24(21-33)13-17-31-34(18-7-19-41(36,37)38)28-20-23(12-15-30(28)40-31)22-8-3-2-4-9-22/h2-6,8-17,20H,7,18-19H2,1H3,(H,36,37,38)/p-1/b24-13+,31-17+