2-(1,3-benzoxazol-2-ylsulfanyl)-2,3-diethyl-butanedioic acid

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-2,3-diethyl-butanedioic acid Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-2,3-diethyl-butanedioic acid CAS Name: 2-(1,3-benzoxazol-2-ylthio)-2,3-diethylbutanedioic acid IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-2,3-diethylbutanedioic acid Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-2,3-diethyl-succinic acid Formula: C15H17NO5S MolecularWeight: 323.36418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO5S/c1-3-9(12(17)18)15(4-2,13(19)20)22-14-16-10-7-5-6-8-11(10)21-14/h5-9H,3-4H2,1-2H3,(H,17,18)(H,19,20)