2-[(4,5,6-triethyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(4,5,6-triethyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(4,5,6-triethyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(4,5,6-triethyl-1,3-benzoxazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(4,5,6-triethyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(4,5,6-triethyl-1,3-benzoxazol-2-yl)thio]succinic acid Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C1CC)CC)N=C(O2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC2=C(C(=C1CC)CC)N=C(O2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H21NO5S/c1-4-9-7-12-15(11(6-3)10(9)5-2)18-17(23-12)24-13(16(21)22)8-14(19)20/h7,13H,4-6,8H2,1-3H3,(H,19,20)(H,21,22)