(Z)-3-(1,3-benzoxazol-2-ylsulfanyl)-6-methanoyl-2,4-dimethyl-7-oxidanyl-oct-2-enoic acid

Systemtic Name: (Z)-3-(1,3-benzoxazol-2-ylsulfanyl)-6-methanoyl-2,4-dimethyl-7-oxidanyl-oct-2-enoic acid Openeye Name: (Z)-3-(1,3-benzoxazol-2-ylsulfanyl)-6-formyl-7-hydroxy-2,4-dimethyl-oct-2-enoic acid CAS Name: (Z)-3-(1,3-benzoxazol-2-ylthio)-6-formyl-7-hydroxy-2,4-dimethyl-2-octenoic acid IUPAC Name: (Z)-3-(1,3-benzoxazol-2-ylsulfanyl)-6-formyl-7-hydroxy-2,4-dimethyloct-2-enoic acid Traditional Name: (Z)-3-(1,3-benzoxazol-2-ylthio)-6-formyl-7-hydroxy-2,4-dimethyl-oct-2-enoic acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C=O)C(C)O)C(=C(C)C(=O)O)SC1=NC2=CC=CC=C2O1

Isomeric SMILES

CC(CC(C=O)C(C)O)/C(=C(\C)/C(=O)O)/SC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C18H21NO5S/c1-10(8-13(9-20)12(3)21)16(11(2)17(22)23)25-18-19-14-6-4-5-7-15(14)24-18/h4-7,9-10,12-13,21H,8H2,1-3H3,(H,22,23)/b16-11-